BAS 02137972
TL;DR: BAS 02137972 (CAS 333313-39-6) is a chemical compound with molecular formula C24H21ClN4O2S and molecular weight 464.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-methylphenyl)-2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 02137972, N-(5-chloro-2-methylphenyl)-2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(5-chloro-2-methylphenyl)-2-{[5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(5-chloro-2-methylphenyl)-2-((5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(5-chloro-2-methylphenyl)-2-[5-(2-methoxyphenyl)-4-phenyl(1,2,4-triazol-3-yl thio)]acetamide
| Molecular Formula | C24H21ClN4O2S |
|---|---|
| Molecular Weight | 464.11 g/mol |
| LogP | 5.63552 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 464.10736 |
| Heavy Atoms | 32 |
| Complexity | 1243.9951 |
Chemical Identifiers
| CAS Number | 333313-39-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4OC |
Product Overview
BAS 02137972 (CAS 333313-39-6), with molecular formula C24H21ClN4O2S and molecular weight 464.11 g/mol. IUPAC: N-(5-chloro-2-methylphenyl)-2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 02137972
Property Insights of BAS 02137972
The XLogP value of 5.63552 indicates that BAS 02137972 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02137972. Following Lipinski's Rule of Five, BAS 02137972 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02137972?
The CAS number of BAS 02137972 is 333313-39-6.
What is the molecular formula of BAS 02137972?
The molecular formula of BAS 02137972 is C24H21ClN4O2S.
What is the molecular weight of BAS 02137972?
The molecular weight of BAS 02137972 is 464.11 g/mol.
Where can I buy BAS 02137972?
You can request a quote for BAS 02137972 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02137972?
Yes, KEHONG BIO provides custom synthesis services for BAS 02137972 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.