AN-329/42682534
TL;DR: AN-329/42682534 (CAS 713501-08-7) is a chemical compound with molecular formula C16H19N3OS2 and molecular weight 333.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]cyclopentanecarboxamide
Also Known As: AN-329/42682534, N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]cyclopentanecarboxamide, N-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]carbonothioyl}cyclopentanecarboxamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-N'-(cyclopentylcarbonyl)thiourea
| Molecular Formula | C16H19N3OS2 |
|---|---|
| Molecular Weight | 333.10 g/mol |
| LogP | 3.50178 |
| Topological Polar Surface Area | 64.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.09695 |
| Heavy Atoms | 22 |
| Complexity | 638.5515 |
Chemical Identifiers
| CAS Number | 713501-08-7 |
|---|---|
| SMILES | C1CCC(C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C#N |
Product Overview
AN-329/42682534 (CAS 713501-08-7), with molecular formula C16H19N3OS2 and molecular weight 333.10 g/mol. IUPAC: N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]cyclopentanecarboxamide.
Chemical Property Profile of AN-329/42682534
Property Insights of AN-329/42682534
The XLogP value of 3.50178 indicates that AN-329/42682534 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.92 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-329/42682534. Following Lipinski's Rule of Five, AN-329/42682534 has 2 hydrogen bond donor(s) and 4 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 AN-329/42682534?
The CAS number of AN-329/42682534 is 713501-08-7.
What is the molecular formula of AN-329/42682534?
The molecular formula of AN-329/42682534 is C16H19N3OS2.
What is the molecular weight of AN-329/42682534?
The molecular weight of AN-329/42682534 is 333.10 g/mol.
Where can I buy AN-329/42682534?
You can request a quote for AN-329/42682534 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/42682534?
Yes, KEHONG BIO provides custom synthesis services for AN-329/42682534 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.