BAS 01816207
TL;DR: BAS 01816207 (CAS 332909-85-0) is a chemical compound with molecular formula C21H15ClN4OS and molecular weight 406.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: BAS 01816207, 1-(4-chlorophenyl)-2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone, 1-(4-chlorophenyl)-2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone, 1-(4-chlorophenyl)-2-(4-phenyl-5-(3-pyridyl)(1,2,4-triazol-3-ylthio))ethan-1-o ne, 1-(4-chlorophenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
| Molecular Formula | C21H15ClN4OS |
|---|---|
| Molecular Weight | 406.07 g/mol |
| LogP | 4.9577 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.06552 |
| Heavy Atoms | 28 |
| Complexity | 1082.6158 |
Chemical Identifiers
| CAS Number | 332909-85-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Cl)C4=CN=CC=C4 |
Product Overview
BAS 01816207 (CAS 332909-85-0), with molecular formula C21H15ClN4OS and molecular weight 406.07 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of BAS 01816207
Property Insights of BAS 01816207
The XLogP value of 4.9577 indicates that BAS 01816207 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01816207. Following Lipinski's Rule of Five, BAS 01816207 has 0 hydrogen bond donor(s) and 5 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 01816207?
The CAS number of BAS 01816207 is 332909-85-0.
What is the molecular formula of BAS 01816207?
The molecular formula of BAS 01816207 is C21H15ClN4OS.
What is the molecular weight of BAS 01816207?
The molecular weight of BAS 01816207 is 406.07 g/mol.
Where can I buy BAS 01816207?
You can request a quote for BAS 01816207 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01816207?
Yes, KEHONG BIO provides custom synthesis services for BAS 01816207 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.