ChemDiv2_001187
TL;DR: ChemDiv2_001187 (CAS 797769-07-4) is a chemical compound with molecular formula C17H19N3O2S and molecular weight 329.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclopentyl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: ChemDiv2_001187, 1-cyclopentyl-3-hydroxy-4-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 1-cyclopentyl-3-hydroxy-4-phenyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one, 1-cyclopentyl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione, 1-cyclopentyl-7-hydroxy-4-phenyl-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
| Molecular Formula | C17H19N3O2S |
|---|---|
| Molecular Weight | 329.12 g/mol |
| LogP | 3.0662 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.1198 |
| Heavy Atoms | 23 |
| Complexity | 774.88135 |
Chemical Identifiers
| CAS Number | 797769-07-4 |
|---|---|
| SMILES | C1CCC(C1)N2C3=C(C(SCC(=O)N3)C4=CC=CC=C4)C(=O)N2 |
Product Overview
ChemDiv2_001187 (CAS 797769-07-4), with molecular formula C17H19N3O2S and molecular weight 329.12 g/mol. IUPAC: 1-cyclopentyl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
Chemical Property Profile of ChemDiv2_001187
Property Insights of ChemDiv2_001187
The XLogP value of 3.0662 indicates that ChemDiv2_001187 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_001187. Following Lipinski's Rule of Five, ChemDiv2_001187 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv2_001187?
The CAS number of ChemDiv2_001187 is 797769-07-4.
What is the molecular formula of ChemDiv2_001187?
The molecular formula of ChemDiv2_001187 is C17H19N3O2S.
What is the molecular weight of ChemDiv2_001187?
The molecular weight of ChemDiv2_001187 is 329.12 g/mol.
Where can I buy ChemDiv2_001187?
You can request a quote for ChemDiv2_001187 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_001187?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_001187 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.