3',5'-di-o-p-chlorobenzoyl-2-deoxy-5-azacytosine (CAS 1034301-08-0) — formula C22H18Cl2N4O6, molecular weight 505.3; category organic chemicals.
| CAS Number | 1034301-08-0 |
|---|---|
| Molecular Formula | C22H18Cl2N4O6 |
| Molecular Weight | 505.3 |
| LogP | 3.6 |
| Category | Organic Chemicals |
3',5'-di-o-p-chlorobenzoyl-2-deoxy-5-azacytosine is a carbon-based organic compound with CAS registry number 1034301-08-0 and molecular formula C22H18Cl2N4O6 (molecular weight 505.3), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1034301-08-0
Its molecular formula C22H18Cl2N4O6 comprises 22 C, 18 H, 2 Cl, 4 N, 6 O atoms.
Also known as: 3',5'-di-o-p-chlorobenzoyl-2-deoxy-5-azacytosine · 3',5'-二邻对氯苯甲酰-2-脱氧-5-氮杂胞嘧啶
Category: organic chemicals
The CAS registry number of 3',5'-di-o-p-chlorobenzoyl-2-deoxy-5-azacytosine is 1034301-08-0.
Molecular formula C22H18Cl2N4O6, molecular weight 505.3.
It is also registered under: 3',5'-di-o-p-chlorobenzoyl-2-deoxy-5-azacytosine, 3',5'-二邻对氯苯甲酰-2-脱氧-5-氮杂胞嘧啶.
Category: Organic Chemicals.
Independent reference data for 3',5'-di-o-p-chlorobenzoyl-2-deoxy-5-azacytosine (CAS 1034301-08-0), compiled from public chemistry databases.
| CAS Registry Number | 1034301-08-0 |
|---|---|
| PubChem CID | 45256853 |
| Molecular formula | C22H18Cl2N4O6 |
| IUPAC name | [(2R,3S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-(4-chlorobenzoyl)oxyoxolan-2-yl]methyl 4-chlorobenzoate |
| UNII (FDA) | I9N2VG4LQ6 |
| Molecular Weight | 505.3 |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 504.0603397 |
| Monoisotopic Mass | 504.0603397 |
| Topological Polar Surface Area | 133 |
| Heavy Atom Count | 34 |
1034301-08-0; 4-Amino-1-[3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-beta-D-erythro-pentofuranosyl]-1,3,5-triazin-2(1H)-one; RefChem:517423; 4-Amino-1-(3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-beta-D-erythro-pentofuranosyl)-1,3,5-triazin-2(1H)-one; 816-382-4; 3',5'-Bis-O-(4-chlorobenzoyl)-2-deoxy-5-azacytosine; [(2R,3S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-(4-chlorobenzoyl)oxyoxolan-2-yl]methyl 4-chlorobenzoate; C22H18Cl2N4O6; Decitabine Intermediate CR; ss-Decitabine-3',5'-bis(4-chlorobenzoate); Decitabine USP Related Compound B; 1,3,5-Triazin-2(1H)-one,4-amino-1-[3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-b-D-erythro-pentofuranosyl]-; 4-Amino-1-[3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-b-D-erythro-pentofuranosyl]-1,3,5-triazin-2(1H)-one; I9N2VG4LQ6; SCHEMBL2784753; TWEZWUPSUOJPMB-RCCFBDPRSA-N; AKOS025401718
| Reported hazard statements | H302 (100%), H312 (100%), H332 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
3',5'-di-o-p-chlorobenzoyl-2-deoxy-5-azacytosine · CAS 1034301-08-0 · C22H18Cl2N4O6. UNII I9N2VG4LQ6.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.