A1331/0060184
TL;DR: A1331/0060184 (CAS 311763-15-2) is a chemical compound with molecular formula C24H17ClN2OS2 and molecular weight 448.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-2-[(3-methoxyphenyl)methylsulfanyl]-6-thiophen-2-ylpyridine-3-carbonitrile
Also Known As: A1331/0060184, 4-(4-chlorophenyl)-2-[(3-methoxyphenyl)methylsulfanyl]-6-thiophen-2-ylpyridine-3-carbonitrile, 4-(4-chlorophenyl)-2-((3-methoxybenzyl)thio)-6-(thiophen-2-yl)nicotinonitrile, 4-(4-chlorophenyl)-2-[(3-methoxybenzyl)sulfanyl]-6-(thiophen-2-yl)pyridine-3-carbonitrile, 4-(4-CHLOROPHENYL)-2-{[(3-METHOXYPHENYL)METHYL]SULFANYL}-6-(THIOPHEN-2-YL)PYRIDINE-3-CARBONITRILE
| Molecular Formula | C24H17ClN2OS2 |
|---|---|
| Molecular Weight | 448.05 g/mol |
| LogP | 7.30308 |
| Topological Polar Surface Area | 45.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.0471 |
| Heavy Atoms | 30 |
| Complexity | 1199.1106 |
Chemical Identifiers
| CAS Number | 311763-15-2 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)Cl)C#N |
Product Overview
A1331/0060184 (CAS 311763-15-2), with molecular formula C24H17ClN2OS2 and molecular weight 448.05 g/mol. IUPAC: 4-(4-chlorophenyl)-2-[(3-methoxyphenyl)methylsulfanyl]-6-thiophen-2-ylpyridine-3-carbonitrile.
Chemical Property Profile of A1331/0060184
Property Insights of A1331/0060184
The XLogP value of 7.30308 indicates that A1331/0060184 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.91 Ų, A1331/0060184 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A1331/0060184 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 A1331/0060184?
The CAS number of A1331/0060184 is 311763-15-2.
What is the molecular formula of A1331/0060184?
The molecular formula of A1331/0060184 is C24H17ClN2OS2.
What is the molecular weight of A1331/0060184?
The molecular weight of A1331/0060184 is 448.05 g/mol.
Where can I buy A1331/0060184?
You can request a quote for A1331/0060184 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1331/0060184?
Yes, KEHONG BIO provides custom synthesis services for A1331/0060184 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.