ChemDiv1_002375
TL;DR: ChemDiv1_002375 (CAS 313379-72-5) is a chemical compound with molecular formula C18H14F3N3OS and molecular weight 377.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: ChemDiv1_002375, BAS 01107780, A0370/0017043, 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide, 2-((3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide
| Molecular Formula | C18H14F3N3OS |
|---|---|
| Molecular Weight | 377.08 g/mol |
| LogP | 4.19158 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.08096 |
| Heavy Atoms | 26 |
| Complexity | 890.22565 |
Chemical Identifiers
| CAS Number | 313379-72-5 |
|---|---|
| SMILES | C1CC2=CC(=C(N=C2C1)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F)C#N |
Product Overview
ChemDiv1_002375 (CAS 313379-72-5), with molecular formula C18H14F3N3OS and molecular weight 377.08 g/mol. IUPAC: 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of ChemDiv1_002375
Property Insights of ChemDiv1_002375
The XLogP value of 4.19158 indicates that ChemDiv1_002375 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002375. Following Lipinski's Rule of Five, ChemDiv1_002375 has 1 hydrogen bond donor(s) and 4 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 ChemDiv1_002375?
The CAS number of ChemDiv1_002375 is 313379-72-5.
What is the molecular formula of ChemDiv1_002375?
The molecular formula of ChemDiv1_002375 is C18H14F3N3OS.
What is the molecular weight of ChemDiv1_002375?
The molecular weight of ChemDiv1_002375 is 377.08 g/mol.
Where can I buy ChemDiv1_002375?
You can request a quote for ChemDiv1_002375 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002375?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002375 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.