BAS 02053667
TL;DR: BAS 02053667 (CAS 332948-57-9) is a chemical compound with molecular formula C24H20ClN3O3S and molecular weight 465.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
Also Known As: BAS 02053667, 2-({5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethanone, 2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
| Molecular Formula | C24H20ClN3O3S |
|---|---|
| Molecular Weight | 465.09 g/mol |
| LogP | 5.4833 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 465.0914 |
| Heavy Atoms | 32 |
| Complexity | 1179.6072 |
Chemical Identifiers
| CAS Number | 332948-57-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)Cl |
Product Overview
BAS 02053667 (CAS 332948-57-9), with molecular formula C24H20ClN3O3S and molecular weight 465.09 g/mol. IUPAC: 2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone.
Chemical Property Profile of BAS 02053667
Property Insights of BAS 02053667
The XLogP value of 5.4833 indicates that BAS 02053667 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02053667. Following Lipinski's Rule of Five, BAS 02053667 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02053667?
The CAS number of BAS 02053667 is 332948-57-9.
What is the molecular formula of BAS 02053667?
The molecular formula of BAS 02053667 is C24H20ClN3O3S.
What is the molecular weight of BAS 02053667?
The molecular weight of BAS 02053667 is 465.09 g/mol.
Where can I buy BAS 02053667?
You can request a quote for BAS 02053667 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02053667?
Yes, KEHONG BIO provides custom synthesis services for BAS 02053667 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.