A1331/0060181
TL;DR: A1331/0060181 (CAS 313379-59-8) is a chemical compound with molecular formula C22H14ClN3S2 and molecular weight 419.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile
Also Known As: A1331/0060181, 4-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile, 4-(4-chlorophenyl)-2-((pyridin-4-ylmethyl)thio)-6-(thiophen-2-yl)nicotinonitrile, 4-(4-chlorophenyl)-2-[(pyridin-4-ylmethyl)sulfanyl]-6-(thiophen-2-yl)pyridine-3-carbonitrile, 4-(4-CHLOROPHENYL)-2-{[(PYRIDIN-4-YL)METHYL]SULFANYL}-6-(THIOPHEN-2-YL)PYRIDINE-3-CARBONITRILE
| Molecular Formula | C22H14ClN3S2 |
|---|---|
| Molecular Weight | 419.03 g/mol |
| LogP | 6.68948 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.03177 |
| Heavy Atoms | 28 |
| Complexity | 1119.1681 |
Chemical Identifiers
| CAS Number | 313379-59-8 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)Cl)C#N)SCC4=CC=NC=C4 |
Product Overview
A1331/0060181 (CAS 313379-59-8), with molecular formula C22H14ClN3S2 and molecular weight 419.03 g/mol. IUPAC: 4-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile.
Chemical Property Profile of A1331/0060181
Property Insights of A1331/0060181
The XLogP value of 6.68948 indicates that A1331/0060181 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.57 Ų, A1331/0060181 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A1331/0060181 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1331/0060181?
The CAS number of A1331/0060181 is 313379-59-8.
What is the molecular formula of A1331/0060181?
The molecular formula of A1331/0060181 is C22H14ClN3S2.
What is the molecular weight of A1331/0060181?
The molecular weight of A1331/0060181 is 419.03 g/mol.
Where can I buy A1331/0060181?
You can request a quote for A1331/0060181 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1331/0060181?
Yes, KEHONG BIO provides custom synthesis services for A1331/0060181 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.