BAS 02070176
TL;DR: BAS 02070176 (CAS 332881-79-5) is a chemical compound with molecular formula C23H19ClN4O2S and molecular weight 450.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methylphenyl)-2-[[5-(4-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 02070176, N-(3-Chloro-4-methylphenyl)-2-((5-(4-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(3-Chloro-4-methyl-phenyl)-2-[5-(4-hydroxy-phenyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide, N-(3-chloro-4-methylphenyl)-2-[[5-(4-oxocyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(3-chloro-4-methylphenyl)-2-[5-(4-hydroxyphenyl)-4-phenyl(1,2,4-triazol-3-yl thio)]acetamide
| Molecular Formula | C23H19ClN4O2S |
|---|---|
| Molecular Weight | 450.09 g/mol |
| LogP | 5.33252 |
| Topological Polar Surface Area | 80.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.09174 |
| Heavy Atoms | 31 |
| Complexity | 1210.241 |
Chemical Identifiers
| CAS Number | 332881-79-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)O)Cl |
Product Overview
BAS 02070176 (CAS 332881-79-5), with molecular formula C23H19ClN4O2S and molecular weight 450.09 g/mol. IUPAC: N-(3-chloro-4-methylphenyl)-2-[[5-(4-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 02070176
Property Insights of BAS 02070176
The XLogP value of 5.33252 indicates that BAS 02070176 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.04 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02070176. Following Lipinski's Rule of Five, BAS 02070176 has 2 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 02070176?
The CAS number of BAS 02070176 is 332881-79-5.
What is the molecular formula of BAS 02070176?
The molecular formula of BAS 02070176 is C23H19ClN4O2S.
What is the molecular weight of BAS 02070176?
The molecular weight of BAS 02070176 is 450.09 g/mol.
Where can I buy BAS 02070176?
You can request a quote for BAS 02070176 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02070176?
Yes, KEHONG BIO provides custom synthesis services for BAS 02070176 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.