BAS 02053645
TL;DR: BAS 02053645 (CAS 332948-45-5) is a chemical compound with molecular formula C27H21ClN4O2S and molecular weight 500.11 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-naphthalen-1-ylacetamide
Also Known As: BAS 02053645, 2-((5-((4-Chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(naphthalen-1-yl)acetamide, 2-({5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide, 2-{5-[(4-chlorophenoxy)methyl]-4-phenyl(1,2,4-triazol-3-ylthio)}-N-naphthylace tamide, 2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
| Molecular Formula | C27H21ClN4O2S |
|---|---|
| Molecular Weight | 500.11 g/mol |
| LogP | 6.3837 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 500.10736 |
| Heavy Atoms | 35 |
| Complexity | 1450.3376 |
Chemical Identifiers
| CAS Number | 332948-45-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC4=CC=CC=C43)COC5=CC=C(C=C5)Cl |
Product Overview
BAS 02053645 (CAS 332948-45-5), with molecular formula C27H21ClN4O2S and molecular weight 500.11 g/mol. IUPAC: 2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide.
Chemical Property Profile of BAS 02053645
Property Insights of BAS 02053645
The XLogP value of 6.3837 indicates that BAS 02053645 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 02053645. Following Lipinski's Rule of Five, BAS 02053645 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 02053645?
The CAS number of BAS 02053645 is 332948-45-5.
What is the molecular formula of BAS 02053645?
The molecular formula of BAS 02053645 is C27H21ClN4O2S.
What is the molecular weight of BAS 02053645?
The molecular weight of BAS 02053645 is 500.11 g/mol.
Where can I buy BAS 02053645?
You can request a quote for BAS 02053645 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02053645?
Yes, KEHONG BIO provides custom synthesis services for BAS 02053645 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.