A0278/0012636
TL;DR: A0278/0012636 (CAS 328069-38-1) is a chemical compound with molecular formula C23H13ClF2N2S2 and molecular weight 454.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-(4-fluorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
Also Known As: A0278/0012636, 2-((2-chloro-6-fluorobenzyl)thio)-4-(4-fluorophenyl)-6-(thiophen-2-yl)nicotinonitrile, 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-(4-fluorophenyl)-6-(2-thienyl)nicotinonitrile, 2-[(2-chloro-6-fluorobenzyl)thio]-4-(4-fluorophenyl)-6-(2-thienyl)nicotinonitrile, 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-(4-fluorophenyl)-6-(thiophen-2-yl)pyridine-3-carbonitrile
| Molecular Formula | C23H13ClF2N2S2 |
|---|---|
| Molecular Weight | 454.02 g/mol |
| LogP | 7.57268 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.01767 |
| Heavy Atoms | 30 |
| Complexity | 1213.2955 |
Chemical Identifiers
| CAS Number | 328069-38-1 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)F)C#N)F |
Product Overview
A0278/0012636 (CAS 328069-38-1), with molecular formula C23H13ClF2N2S2 and molecular weight 454.02 g/mol. IUPAC: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-(4-fluorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile.
Chemical Property Profile of A0278/0012636
Property Insights of A0278/0012636
The XLogP value of 7.57268 indicates that A0278/0012636 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, A0278/0012636 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A0278/0012636 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A0278/0012636?
The CAS number of A0278/0012636 is 328069-38-1.
What is the molecular formula of A0278/0012636?
The molecular formula of A0278/0012636 is C23H13ClF2N2S2.
What is the molecular weight of A0278/0012636?
The molecular weight of A0278/0012636 is 454.02 g/mol.
Where can I buy A0278/0012636?
You can request a quote for A0278/0012636 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0278/0012636?
Yes, KEHONG BIO provides custom synthesis services for A0278/0012636 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.