1-[[4-[[6'-[ethyl(p-tolyl)amino]-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-2'-yl]amino]phenyl]sulphonyl]pyrrolidine (CAS 85223-12-7) — formula C39H35N3O5S, molecular weight 657.8; category organic chemicals.
| CAS Number | 85223-12-7 |
|---|---|
| Molecular Formula | C39H35N3O5S |
| Molecular Weight | 657.8 |
| LogP | 7.7 |
| Category | Organic Chemicals |
1-[[4-[[6'-[ethyl(p-tolyl)amino]-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-2'-yl]amino]phenyl]sulphonyl]pyrrolidine is a carbon-based organic compound with CAS registry number 85223-12-7 and molecular formula C39H35N3O5S (molecular weight 657.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 85223-12-7
Its molecular formula C39H35N3O5S comprises 39 C, 35 H, 3 N, 5 O, 1 S atoms.
Also known as: 1-[[4-[[6'-[ethyl(p-tolyl)amino]-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-2'-yl]amino]phenyl]sulphonyl]pyrrolidine · 1-[[4-[[6'-[乙基(对甲苯基)氨基]-3-氧代螺[异苯并呋喃-1(3H),9'-[9H]呫吨]-2'-基]氨基]苯基]磺酰基]吡咯烷
Category: organic chemicals
The CAS registry number of 1-[[4-[[6'-[ethyl(p-tolyl)amino]-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-2'-yl]amino]phenyl]sulphonyl]pyrrolidine is 85223-12-7.
Molecular formula C39H35N3O5S, molecular weight 657.8.
It is also registered under: 1-[[4-[[6'-[ethyl(p-tolyl)amino]-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-2'-yl]amino]phenyl]sulphonyl]pyrrolidine, 1-[[4-[[6'-[乙基(对甲苯基)氨基]-3-氧代螺[异苯并呋喃-1(3H),9'-[9H]呫吨]-2'-基]氨基]苯基]磺酰基]吡咯烷.
Category: Organic Chemicals.
Independent reference data for 1-[[4-[[6'-[ethyl(p-tolyl)amino]-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-2'-yl]amino]phenyl]sulphonyl]pyrrolidine (CAS 85223-12-7), compiled from public chemistry databases.
| CAS 号 | 85223-12-7 |
|---|---|
| PubChem CID | 44150972 |
| 分子式 | C39H35N3O5S |
| IUPAC 名称 | 6'-(N-ethyl-4-methylanilino)-2'-(4-pyrrolidin-1-ylsulfonylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one |
| UNII(FDA) | NS00065229 |
| Molecular Weight | 657.8 |
|---|---|
| XLogP3 | 7.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 657.22974240 |
| Monoisotopic Mass | 657.22974240 |
| Topological Polar Surface Area | 96.6 |
| Heavy Atom Count | 48 |
85223-12-7; EINECS 286-365-9; ODFVAHYUYMPHJA-UHFFFAOYSA-N; DTXSID601005693; NS00065229
1-[[4-[[6'-[乙基(对甲苯基)氨基]-3-氧代螺[异苯并呋喃-1(3H),9'-[9H]呫吨]-2'-基]氨基]苯基]磺酰基]吡咯烷 · CAS 85223-12-7 · C39H35N3O5S. UNII NS00065229.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 1-[[4-[[6'-[乙基(对甲苯基)氨基]-3-氧代螺[异苯并呋喃-1(3H),9'-[9H]呫吨]-2'-基]氨基]苯基]磺酰基]吡咯烷