BAS 06901331
TL;DR: BAS 06901331 (CAS 626221-53-2) is a chemical compound with molecular formula C19H15ClF3N3OS and molecular weight 425.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)methyl]-2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]acetamide
Also Known As: BAS 06901331, N-(4-chlorobenzyl)-2-{[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetamide, AM-807/41625896, N-[(4-chlorophenyl)methyl]-2-{[3-cyano-4-(trifluoromethyl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetamide, N-[(4-chlorophenyl)methyl]-2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]acetamide
| Molecular Formula | C19H15ClF3N3OS |
|---|---|
| Molecular Weight | 425.06 g/mol |
| LogP | 4.52268 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.05765 |
| Heavy Atoms | 28 |
| Complexity | 939.41077 |
Chemical Identifiers
| CAS Number | 626221-53-2 |
|---|---|
| SMILES | C1CC2=C(C1)N=C(C(=C2C(F)(F)F)C#N)SCC(=O)NCC3=CC=C(C=C3)Cl |
Product Overview
BAS 06901331 (CAS 626221-53-2), with molecular formula C19H15ClF3N3OS and molecular weight 425.06 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]-2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 06901331
Property Insights of BAS 06901331
The XLogP value of 4.52268 indicates that BAS 06901331 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 BAS 06901331. Following Lipinski's Rule of Five, BAS 06901331 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 BAS 06901331?
The CAS number of BAS 06901331 is 626221-53-2.
What is the molecular formula of BAS 06901331?
The molecular formula of BAS 06901331 is C19H15ClF3N3OS.
What is the molecular weight of BAS 06901331?
The molecular weight of BAS 06901331 is 425.06 g/mol.
Where can I buy BAS 06901331?
You can request a quote for BAS 06901331 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06901331?
Yes, KEHONG BIO provides custom synthesis services for BAS 06901331 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.