A0372/0017098
TL;DR: A0372/0017098 (CAS 339163-75-6) is a chemical compound with molecular formula C22H13ClN2OS3 and molecular weight 451.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-6-thiophen-2-ylpyridine-3-carbonitrile
Also Known As: A0372/0017098, 4-(4-chlorophenyl)-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-6-thiophen-2-ylpyridine-3-carbonitrile, 4-(4-chlorophenyl)-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-6-(thiophen-2-yl)pyridine-3-carbonitrile, 3-pyridinecarbonitrile, 4-(4-chlorophenyl)-2-[[2-oxo-2-(2-thienyl)ethyl]thio]-6-(2-thienyl)-
| Molecular Formula | C22H13ClN2OS3 |
|---|---|
| Molecular Weight | 451.99 g/mol |
| LogP | 7.03868 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.98785 |
| Heavy Atoms | 29 |
| Complexity | 1178.2828 |
Chemical Identifiers
| CAS Number | 339163-75-6 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)Cl)C#N)SCC(=O)C4=CC=CS4 |
Product Overview
A0372/0017098 (CAS 339163-75-6), with molecular formula C22H13ClN2OS3 and molecular weight 451.99 g/mol. IUPAC: 4-(4-chlorophenyl)-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-6-thiophen-2-ylpyridine-3-carbonitrile.
Chemical Property Profile of A0372/0017098
Property Insights of A0372/0017098
The XLogP value of 7.03868 indicates that A0372/0017098 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.75 Ų, A0372/0017098 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A0372/0017098 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A0372/0017098?
The CAS number of A0372/0017098 is 339163-75-6.
What is the molecular formula of A0372/0017098?
The molecular formula of A0372/0017098 is C22H13ClN2OS3.
What is the molecular weight of A0372/0017098?
The molecular weight of A0372/0017098 is 451.99 g/mol.
Where can I buy A0372/0017098?
You can request a quote for A0372/0017098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0372/0017098?
Yes, KEHONG BIO provides custom synthesis services for A0372/0017098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.