Bionet1_004630
TL;DR: Bionet1_004630 (CAS 439096-34-1) is a chemical compound with molecular formula C22H16ClFN2S and molecular weight 394.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
Also Known As: Bionet1_004630, 3-[(2-chloro-6-fluorobenzyl)sulfanyl]-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile, 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-phenyl-5H,6H,7H-cyclopenta[c]pyridine-4-carbonitrile, 2T-0261, 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
| Molecular Formula | C22H16ClFN2S |
|---|---|
| Molecular Weight | 394.07 g/mol |
| LogP | 6.19378 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.07068 |
| Heavy Atoms | 27 |
| Complexity | 1024.1638 |
Chemical Identifiers
| CAS Number | 439096-34-1 |
|---|---|
| SMILES | C1CC2=C(C1)C(=NC(=C2C#N)SCC3=C(C=CC=C3Cl)F)C4=CC=CC=C4 |
Product Overview
Bionet1_004630 (CAS 439096-34-1), with molecular formula C22H16ClFN2S and molecular weight 394.07 g/mol. IUPAC: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile.
Chemical Property Profile of Bionet1_004630
Property Insights of Bionet1_004630
The XLogP value of 6.19378 indicates that Bionet1_004630 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, Bionet1_004630 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_004630 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 Bionet1_004630?
The CAS number of Bionet1_004630 is 439096-34-1.
What is the molecular formula of Bionet1_004630?
The molecular formula of Bionet1_004630 is C22H16ClFN2S.
What is the molecular weight of Bionet1_004630?
The molecular weight of Bionet1_004630 is 394.07 g/mol.
Where can I buy Bionet1_004630?
You can request a quote for Bionet1_004630 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004630?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004630 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.