BAS 01862234
TL;DR: BAS 01862234 (CAS 332922-45-9) is a chemical compound with molecular formula C24H21N5O3S and molecular weight 459.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide
Also Known As: BAS 01862234, 2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-methyl-3-nitrophenyl)acetamide, 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide, 2-(5-Benzyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-methyl-3-nitro-phenyl)-acetamide
| Molecular Formula | C24H21N5O3S |
|---|---|
| Molecular Weight | 459.14 g/mol |
| LogP | 4.80552 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 459.1365 |
| Heavy Atoms | 33 |
| Complexity | 1276.0215 |
Chemical Identifiers
| CAS Number | 332922-45-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-] |
Product Overview
BAS 01862234 (CAS 332922-45-9), with molecular formula C24H21N5O3S and molecular weight 459.14 g/mol. IUPAC: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide.
Chemical Property Profile of BAS 01862234
Property Insights of BAS 01862234
The XLogP value of 4.80552 indicates that BAS 01862234 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01862234. Following Lipinski's Rule of Five, BAS 01862234 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01862234?
The CAS number of BAS 01862234 is 332922-45-9.
What is the molecular formula of BAS 01862234?
The molecular formula of BAS 01862234 is C24H21N5O3S.
What is the molecular weight of BAS 01862234?
The molecular weight of BAS 01862234 is 459.14 g/mol.
Where can I buy BAS 01862234?
You can request a quote for BAS 01862234 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01862234?
Yes, KEHONG BIO provides custom synthesis services for BAS 01862234 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.