AB00684306-01
TL;DR: AB00684306-01 (CAS 476307-41-2) is a chemical compound with molecular formula C17H16N2OS2 and molecular weight 328.07 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-phenylsulfanylpropanamide
Also Known As: AB00684306-01, F0440-0031, N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(phenylthio)propanamide, N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-phenylsulfanylpropanamide, N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}-3-(phenylsulfanyl)propanamide
| Molecular Formula | C17H16N2OS2 |
|---|---|
| Molecular Weight | 328.07 g/mol |
| LogP | 4.22938 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.0704 |
| Heavy Atoms | 22 |
| Complexity | 716.2504 |
Chemical Identifiers
| CAS Number | 476307-41-2 |
|---|---|
| SMILES | C1CC2=C(C1)SC(=C2C#N)NC(=O)CCSC3=CC=CC=C3 |
Product Overview
AB00684306-01 (CAS 476307-41-2), with molecular formula C17H16N2OS2 and molecular weight 328.07 g/mol. IUPAC: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-phenylsulfanylpropanamide.
Chemical Property Profile of AB00684306-01
Property Insights of AB00684306-01
The XLogP value of 4.22938 indicates that AB00684306-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, AB00684306-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00684306-01 has 1 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 AB00684306-01?
The CAS number of AB00684306-01 is 476307-41-2.
What is the molecular formula of AB00684306-01?
The molecular formula of AB00684306-01 is C17H16N2OS2.
What is the molecular weight of AB00684306-01?
The molecular weight of AB00684306-01 is 328.07 g/mol.
Where can I buy AB00684306-01?
You can request a quote for AB00684306-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684306-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684306-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.