4-[(2s)-2-[(5-Isoquinolinylsulfonyl)Methylamino]-3-Oxo-3-(4-Phenyl-1-Piperazinyl)Propyl] Phenyl Isoquinolinesulfonic Acid Ester (CAS 127191-97-3) — formula C38H35N5O6S2, molecular weight 721.8; category organic chemicals.
| CAS Number | 127191-97-3 |
|---|---|
| Molecular Formula | C38H35N5O6S2 |
| Molecular Weight | 721.8 |
| LogP | 5.6 |
| Category | Organic Chemicals |
4-[(2s)-2-[(5-Isoquinolinylsulfonyl)Methylamino]-3-Oxo-3-(4-Phenyl-1-Piperazinyl)Propyl] Phenyl Isoquinolinesulfonic Acid Ester is a carbon-based organic compound with CAS registry number 127191-97-3 and molecular formula C38H35N5O6S2 (molecular weight 721.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 127191-97-3
Its molecular formula C38H35N5O6S2 comprises 38 C, 35 H, 5 N, 6 O, 2 S atoms.
Also known as: 4-[(2s)-2-[(5-Isoquinolinylsulfonyl)Methylamino]-3-Oxo-3-(4-Phenyl-1-Piperazinyl)Propyl] Phenyl Isoquinolinesulfonic Acid Ester · 1-[N,O-二(5-异喹啉磺酰基)-N-甲基-L-型酪氨酸]-4-苯基哌嗪
Category: organic chemicals
The CAS registry number of 4-[(2s)-2-[(5-Isoquinolinylsulfonyl)Methylamino]-3-Oxo-3-(4-Phenyl-1-Piperazinyl)Propyl] Phenyl Isoquinolinesulfonic Acid Ester is 127191-97-3.
Molecular formula C38H35N5O6S2, molecular weight 721.8.
It is also registered under: 4-[(2s)-2-[(5-Isoquinolinylsulfonyl)Methylamino]-3-Oxo-3-(4-Phenyl-1-Piperazinyl)Propyl] Phenyl Isoquinolinesulfonic Acid Ester, 1-[N,O-二(5-异喹啉磺酰基)-N-甲基-L-型酪氨酸]-4-苯基哌嗪.
Category: Organic Chemicals.
Independent reference data for 4-[(2s)-2-[(5-Isoquinolinylsulfonyl)Methylamino]-3-Oxo-3-(4-Phenyl-1-Piperazinyl)Propyl] Phenyl Isoquinolinesulfonic Acid Ester (CAS 127191-97-3), compiled from public chemistry databases.
| CAS 号 | 127191-97-3 |
|---|---|
| PubChem CID | 3838 |
| 分子式 | C38H35N5O6S2 |
| IUPAC 名称 | [4-[2-[isoquinolin-5-ylsulfonyl(methyl)amino]-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl] isoquinoline-5-sulfonate |
| UNII（FDA） | HMS1362K03 |
| Molecular Weight | 721.8 |
|---|---|
| XLogP3 | 5.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 10 |
| Exact Mass | 721.20287620 |
| Monoisotopic Mass | 721.20287620 |
| Topological Polar Surface Area | 147 |
| Heavy Atom Count | 51 |
CHEMBL130321; BiomolKI_000040; BiomolKI2_000048; BMK1-E4; BSPBio_001181; KBioGR_000521; KBioSS_000521; orb1226628; SCHEMBL1982403; CHEBI:91888; KBio2_000521; KBio2_003089; KBio2_005657; KBio3_000941; KBio3_000942; BRD7136
1-[N,O-二(5-异喹啉磺酰基)-N-甲基-L-型酪氨酸]-4-苯基哌嗪 · CAS 127191-97-3 · C38H35N5O6S2. UNII HMS1362K03.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.