A0442/0020419
TL;DR: A0442/0020419 (CAS 339187-71-2) is a chemical compound with molecular formula C25H15Cl2FN2S and molecular weight 464.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dichlorophenyl)methylsulfanyl]-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile
Also Known As: A0442/0020419, 2-((3,4-dichlorobenzyl)thio)-4-(4-fluorophenyl)-6-phenylnicotinonitrile, 2-[(3,4-dichlorobenzyl)thio]-4-(4-fluorophenyl)-6-phenylnicotinonitrile, 2-[(3,4-dichlorobenzyl)sulfanyl]-4-(4-fluorophenyl)-6-phenylnicotinonitrile, 2-[(3,4-dichlorobenzyl)sulfanyl]-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile
| Molecular Formula | C25H15Cl2FN2S |
|---|---|
| Molecular Weight | 464.03 g/mol |
| LogP | 8.02548 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.0317 |
| Heavy Atoms | 31 |
| Complexity | 1269.4431 |
Chemical Identifiers
| CAS Number | 339187-71-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)F)C#N)SCC4=CC(=C(C=C4)Cl)Cl |
Product Overview
A0442/0020419 (CAS 339187-71-2), with molecular formula C25H15Cl2FN2S and molecular weight 464.03 g/mol. IUPAC: 2-[(3,4-dichlorophenyl)methylsulfanyl]-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile.
Chemical Property Profile of A0442/0020419
Property Insights of A0442/0020419
The XLogP value of 8.02548 indicates that A0442/0020419 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, A0442/0020419 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A0442/0020419 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A0442/0020419?
The CAS number of A0442/0020419 is 339187-71-2.
What is the molecular formula of A0442/0020419?
The molecular formula of A0442/0020419 is C25H15Cl2FN2S.
What is the molecular weight of A0442/0020419?
The molecular weight of A0442/0020419 is 464.03 g/mol.
Where can I buy A0442/0020419?
You can request a quote for A0442/0020419 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0442/0020419?
Yes, KEHONG BIO provides custom synthesis services for A0442/0020419 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.