AB00685729-01
TL;DR: AB00685729-01 (CAS 379239-66-4) is a chemical compound with molecular formula C22H22N4O2S3 and molecular weight 470.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[3-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3-oxopropyl]sulfanylpropanamide
Also Known As: AB00685729-01, F1174-3123, AF-399/40862861, N-{3-CYANO-4H,5H,6H-CYCLOPENTA[B]THIOPHEN-2-YL}-3-{[2-({3-CYANO-4H,5H,6H-CYCLOPENTA[B]THIOPHEN-2-YL}CARBAMOYL)ETHYL]SULFANYL}PROPANAMIDE, 3,3'-thiobis(N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide)
| Molecular Formula | C22H22N4O2S3 |
|---|---|
| Molecular Weight | 470.09 g/mol |
| LogP | 4.62096 |
| Topological Polar Surface Area | 105.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 470.09048 |
| Heavy Atoms | 31 |
| Complexity | 1017.40814 |
Chemical Identifiers
| CAS Number | 379239-66-4 |
|---|---|
| SMILES | C1CC2=C(C1)SC(=C2C#N)NC(=O)CCSCCC(=O)NC3=C(C4=C(S3)CCC4)C#N |
Product Overview
AB00685729-01 (CAS 379239-66-4), with molecular formula C22H22N4O2S3 and molecular weight 470.09 g/mol. IUPAC: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[3-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3-oxopropyl]sulfanylpropanamide.
Chemical Property Profile of AB00685729-01
Property Insights of AB00685729-01
The XLogP value of 4.62096 indicates that AB00685729-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.78 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685729-01. Following Lipinski's Rule of Five, AB00685729-01 has 2 hydrogen bond donor(s) and 7 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 AB00685729-01?
The CAS number of AB00685729-01 is 379239-66-4.
What is the molecular formula of AB00685729-01?
The molecular formula of AB00685729-01 is C22H22N4O2S3.
What is the molecular weight of AB00685729-01?
The molecular weight of AB00685729-01 is 470.09 g/mol.
Where can I buy AB00685729-01?
You can request a quote for AB00685729-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685729-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685729-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.