BB 0217486
TL;DR: BB 0217486 (CAS 879612-22-3) is a chemical compound with molecular formula C12H13ClN4OS and molecular weight 296.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methylphenyl)-2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)acetamide
Also Known As: BB 0217486, N-(3-Chloro-4-methyl-phenyl)-2-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-acetamide, N-(3-chloro-4-methylphenyl)-2-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)acetamide, N-(3-Chloro-4-methyl-phenyl)-2-(5-mercapto- 4-methyl-4H-[1,2,4]triazol-3-yl)-acetamide, N-(3-chloro-4-methylphenyl)-2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)acetamide
| Molecular Formula | C12H13ClN4OS |
|---|---|
| Molecular Weight | 296.05 g/mol |
| LogP | 2.62071 |
| Topological Polar Surface Area | 62.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.04987 |
| Heavy Atoms | 19 |
| Complexity | 676.6092 |
Chemical Identifiers
| CAS Number | 879612-22-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CC2=NNC(=S)N2C)Cl |
Product Overview
BB 0217486 (CAS 879612-22-3), with molecular formula C12H13ClN4OS and molecular weight 296.05 g/mol. IUPAC: N-(3-chloro-4-methylphenyl)-2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)acetamide.
Chemical Property Profile of BB 0217486
Property Insights of BB 0217486
The XLogP value of 2.62071 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BB 0217486. The TPSA of 62.71 Ų falls within the moderate polarity range, balancing permeability and solubility for BB 0217486. Following Lipinski's Rule of Five, BB 0217486 has 2 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 BB 0217486?
The CAS number of BB 0217486 is 879612-22-3.
What is the molecular formula of BB 0217486?
The molecular formula of BB 0217486 is C12H13ClN4OS.
What is the molecular weight of BB 0217486?
The molecular weight of BB 0217486 is 296.05 g/mol.
Where can I buy BB 0217486?
You can request a quote for BB 0217486 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BB 0217486?
Yes, KEHONG BIO provides custom synthesis services for BB 0217486 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.