AB00679342-01
TL;DR: AB00679342-01 (CAS 898415-96-8) is a chemical compound with molecular formula C20H21N3O2S2 and molecular weight 399.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(4-methylphenyl)sulfanylpropanamide
Also Known As: AB00679342-01, F2537-0424, N-(6-acetyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-(p-tolylthio)propanamide, N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(4-methylphenyl)sulfanylpropanamide, N-{6-acetyl-3-cyano-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl}-3-[(4-methylphenyl)sulfanyl]propanamide
| Molecular Formula | C20H21N3O2S2 |
|---|---|
| Molecular Weight | 399.11 g/mol |
| LogP | 3.9537 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.1075 |
| Heavy Atoms | 27 |
| Complexity | 897.18604 |
Chemical Identifiers
| CAS Number | 898415-96-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCCC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)C)C#N |
Product Overview
AB00679342-01 (CAS 898415-96-8), with molecular formula C20H21N3O2S2 and molecular weight 399.11 g/mol. IUPAC: N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(4-methylphenyl)sulfanylpropanamide.
Chemical Property Profile of AB00679342-01
Property Insights of AB00679342-01
The XLogP value of 3.9537 indicates that AB00679342-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00679342-01. Following Lipinski's Rule of Five, AB00679342-01 has 1 hydrogen bond donor(s) and 5 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 AB00679342-01?
The CAS number of AB00679342-01 is 898415-96-8.
What is the molecular formula of AB00679342-01?
The molecular formula of AB00679342-01 is C20H21N3O2S2.
What is the molecular weight of AB00679342-01?
The molecular weight of AB00679342-01 is 399.11 g/mol.
Where can I buy AB00679342-01?
You can request a quote for AB00679342-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00679342-01?
Yes, KEHONG BIO provides custom synthesis services for AB00679342-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.