BAS 02053246
TL;DR: BAS 02053246 (CAS 332946-91-5) is a chemical compound with molecular formula C26H25ClN4OS and molecular weight 476.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-diethylphenyl)acetamide
Also Known As: BAS 02053246, 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-diethylphenyl)acetamide, 2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-diethylphenyl)acetamide
| Molecular Formula | C26H25ClN4OS |
|---|---|
| Molecular Weight | 476.14 g/mol |
| LogP | 6.4433 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 476.14377 |
| Heavy Atoms | 33 |
| Complexity | 1216.8989 |
Chemical Identifiers
| CAS Number | 332946-91-5 |
|---|---|
| SMILES | CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Cl |
Product Overview
BAS 02053246 (CAS 332946-91-5), with molecular formula C26H25ClN4OS and molecular weight 476.14 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-diethylphenyl)acetamide.
Chemical Property Profile of BAS 02053246
Property Insights of BAS 02053246
The XLogP value of 6.4433 indicates that BAS 02053246 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 02053246 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02053246 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 02053246?
The CAS number of BAS 02053246 is 332946-91-5.
What is the molecular formula of BAS 02053246?
The molecular formula of BAS 02053246 is C26H25ClN4OS.
What is the molecular weight of BAS 02053246?
The molecular weight of BAS 02053246 is 476.14 g/mol.
Where can I buy BAS 02053246?
You can request a quote for BAS 02053246 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02053246?
Yes, KEHONG BIO provides custom synthesis services for BAS 02053246 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.