BAS 02053641
TL;DR: BAS 02053641 (CAS 332948-44-4) is a chemical compound with molecular formula C24H21ClN4O3S and molecular weight 480.10 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]-N-(2-methoxyphenyl)acetamide
Also Known As: BAS 02053641, 2-((5-((4-Chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide, 2-({5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methoxyphenyl)acetamide, 2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide, 2-[5-(4-Chloro-phenoxymethyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(2-methoxy-phenyl)-acetamide
| Molecular Formula | C24H21ClN4O3S |
|---|---|
| Molecular Weight | 480.10 g/mol |
| LogP | 5.2391 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 480.1023 |
| Heavy Atoms | 33 |
| Complexity | 1216.1287 |
Chemical Identifiers
| CAS Number | 332948-44-4 |
|---|---|
| SMILES | COC1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)Cl |
Product Overview
BAS 02053641 (CAS 332948-44-4), with molecular formula C24H21ClN4O3S and molecular weight 480.10 g/mol. IUPAC: 2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide.
Chemical Property Profile of BAS 02053641
Property Insights of BAS 02053641
The XLogP value of 5.2391 indicates that BAS 02053641 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02053641. Following Lipinski's Rule of Five, BAS 02053641 has 1 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 02053641?
The CAS number of BAS 02053641 is 332948-44-4.
What is the molecular formula of BAS 02053641?
The molecular formula of BAS 02053641 is C24H21ClN4O3S.
What is the molecular weight of BAS 02053641?
The molecular weight of BAS 02053641 is 480.10 g/mol.
Where can I buy BAS 02053641?
You can request a quote for BAS 02053641 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02053641?
Yes, KEHONG BIO provides custom synthesis services for BAS 02053641 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.