A0440/0020361
TL;DR: A0440/0020361 (CAS 339187-44-9) is a chemical compound with molecular formula C20H14ClFN2S2 and molecular weight 400.03 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-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Also Known As: A0440/0020361, 2-((2-chloro-6-fluorobenzyl)thio)-4-(thiophen-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile, 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-(2-thienyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile, 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-(thiophen-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile, 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
| Molecular Formula | C20H14ClFN2S2 |
|---|---|
| Molecular Weight | 400.03 g/mol |
| LogP | 6.25528 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.0271 |
| Heavy Atoms | 26 |
| Complexity | 989.38605 |
Chemical Identifiers
| CAS Number | 339187-44-9 |
|---|---|
| SMILES | C1CC2=C(C1)N=C(C(=C2C3=CC=CS3)C#N)SCC4=C(C=CC=C4Cl)F |
Product Overview
A0440/0020361 (CAS 339187-44-9), with molecular formula C20H14ClFN2S2 and molecular weight 400.03 g/mol. IUPAC: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
Chemical Property Profile of A0440/0020361
Property Insights of A0440/0020361
The XLogP value of 6.25528 indicates that A0440/0020361 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, A0440/0020361 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A0440/0020361 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 A0440/0020361?
The CAS number of A0440/0020361 is 339187-44-9.
What is the molecular formula of A0440/0020361?
The molecular formula of A0440/0020361 is C20H14ClFN2S2.
What is the molecular weight of A0440/0020361?
The molecular weight of A0440/0020361 is 400.03 g/mol.
Where can I buy A0440/0020361?
You can request a quote for A0440/0020361 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0440/0020361?
Yes, KEHONG BIO provides custom synthesis services for A0440/0020361 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.