A1331/0060183
TL;DR: A1331/0060183 (CAS 313379-60-1) is a chemical compound with molecular formula C24H18N2OS2 and molecular weight 414.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-methoxyphenyl)methylsulfanyl]-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
Also Known As: A1331/0060183, 2-[(3-methoxyphenyl)methylsulfanyl]-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile, 2-((3-methoxybenzyl)thio)-4-phenyl-6-(thiophen-2-yl)nicotinonitrile, 2-[(3-methoxybenzyl)sulfanyl]-4-phenyl-6-(thiophen-2-yl)pyridine-3-carbonitrile, 2-[(3-methoxyphenyl)methylthio]-4-phenyl-6-(2-thienyl)pyridine-3-carbonitrile
| Molecular Formula | C24H18N2OS2 |
|---|---|
| Molecular Weight | 414.09 g/mol |
| LogP | 6.64968 |
| Topological Polar Surface Area | 45.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.08606 |
| Heavy Atoms | 29 |
| Complexity | 1149.4767 |
Chemical Identifiers
| CAS Number | 313379-60-1 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CC=C4)C#N |
Product Overview
A1331/0060183 (CAS 313379-60-1), with molecular formula C24H18N2OS2 and molecular weight 414.09 g/mol. IUPAC: 2-[(3-methoxyphenyl)methylsulfanyl]-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile.
Chemical Property Profile of A1331/0060183
Property Insights of A1331/0060183
The XLogP value of 6.64968 indicates that A1331/0060183 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.91 Ų, A1331/0060183 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A1331/0060183 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 A1331/0060183?
The CAS number of A1331/0060183 is 313379-60-1.
What is the molecular formula of A1331/0060183?
The molecular formula of A1331/0060183 is C24H18N2OS2.
What is the molecular weight of A1331/0060183?
The molecular weight of A1331/0060183 is 414.09 g/mol.
Where can I buy A1331/0060183?
You can request a quote for A1331/0060183 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1331/0060183?
Yes, KEHONG BIO provides custom synthesis services for A1331/0060183 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.