ChemDiv3_005723
TL;DR: ChemDiv3_005723 (CAS 444932-93-8) is a chemical compound with molecular formula C17H12F4N2S and molecular weight 352.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-fluorophenyl)methylsulfanyl]-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
Also Known As: ChemDiv3_005723, IDI1_023633, BRD-K72053330-001-01-6, 3-[(2-fluorobenzyl)sulfanyl]-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile, 3-[(2-fluorophenyl)methylsulfanyl]-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
| Molecular Formula | C17H12F4N2S |
|---|---|
| Molecular Weight | 352.07 g/mol |
| LogP | 4.89218 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.06573 |
| Heavy Atoms | 24 |
| Complexity | 824.561 |
Chemical Identifiers
| CAS Number | 444932-93-8 |
|---|---|
| SMILES | C1CC2=C(C1)C(=NC(=C2C#N)SCC3=CC=CC=C3F)C(F)(F)F |
Product Overview
ChemDiv3_005723 (CAS 444932-93-8), with molecular formula C17H12F4N2S and molecular weight 352.07 g/mol. IUPAC: 3-[(2-fluorophenyl)methylsulfanyl]-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile.
Chemical Property Profile of ChemDiv3_005723
Property Insights of ChemDiv3_005723
The XLogP value of 4.89218 indicates that ChemDiv3_005723 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, ChemDiv3_005723 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_005723 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_005723?
The CAS number of ChemDiv3_005723 is 444932-93-8.
What is the molecular formula of ChemDiv3_005723?
The molecular formula of ChemDiv3_005723 is C17H12F4N2S.
What is the molecular weight of ChemDiv3_005723?
The molecular weight of ChemDiv3_005723 is 352.07 g/mol.
Where can I buy ChemDiv3_005723?
You can request a quote for ChemDiv3_005723 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005723?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005723 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.