BAS 02053748
TL;DR: BAS 02053748 (CAS 332948-89-7) is a chemical compound with molecular formula C24H21ClN4OS and molecular weight 448.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
Also Known As: BAS 02053748, 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide, N-(3,4-dimethylphenyl)-2-[5-(2-chlorophenyl)-4-phenyl(1,2,4-triazol-3-ylthio)] acetamide, 2-((5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(3,4-dimethylphenyl)acetamide, 2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
| Molecular Formula | C24H21ClN4OS |
|---|---|
| Molecular Weight | 448.11 g/mol |
| LogP | 5.93534 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.11246 |
| Heavy Atoms | 31 |
| Complexity | 1223.4938 |
Chemical Identifiers
| CAS Number | 332948-89-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4Cl)C |
Product Overview
BAS 02053748 (CAS 332948-89-7), with molecular formula C24H21ClN4OS and molecular weight 448.11 g/mol. IUPAC: 2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide.
Chemical Property Profile of BAS 02053748
Property Insights of BAS 02053748
The XLogP value of 5.93534 indicates that BAS 02053748 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, BAS 02053748 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02053748 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02053748?
The CAS number of BAS 02053748 is 332948-89-7.
What is the molecular formula of BAS 02053748?
The molecular formula of BAS 02053748 is C24H21ClN4OS.
What is the molecular weight of BAS 02053748?
The molecular weight of BAS 02053748 is 448.11 g/mol.
Where can I buy BAS 02053748?
You can request a quote for BAS 02053748 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02053748?
Yes, KEHONG BIO provides custom synthesis services for BAS 02053748 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.