BAS 02053789
TL;DR: BAS 02053789 (CAS 493003-81-9) is a chemical compound with molecular formula C21H24N6O3S and molecular weight 440.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(2,6-dimethylanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide
Also Known As: BAS 02053789, 2-[(5-{[(2,6-dimethylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-{5-nitro-2-methylphenyl}acetamide, 2-((5-(((2,6-Dimethylphenyl)amino)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methyl-5-nitrophenyl)acetamide
| Molecular Formula | C21H24N6O3S |
|---|---|
| Molecular Weight | 440.16 g/mol |
| LogP | 3.99146 |
| Topological Polar Surface Area | 114.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 440.16306 |
| Heavy Atoms | 31 |
| Complexity | 1108.048 |
Chemical Identifiers
| CAS Number | 493003-81-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NCC2=NN=C(N2C)SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C |
Product Overview
BAS 02053789 (CAS 493003-81-9), with molecular formula C21H24N6O3S and molecular weight 440.16 g/mol. IUPAC: 2-[[5-[(2,6-dimethylanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide.
Chemical Property Profile of BAS 02053789
Property Insights of BAS 02053789
The XLogP value of 3.99146 indicates that BAS 02053789 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02053789. Following Lipinski's Rule of Five, BAS 02053789 has 2 hydrogen bond donor(s) and 7 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 02053789?
The CAS number of BAS 02053789 is 493003-81-9.
What is the molecular formula of BAS 02053789?
The molecular formula of BAS 02053789 is C21H24N6O3S.
What is the molecular weight of BAS 02053789?
The molecular weight of BAS 02053789 is 440.16 g/mol.
Where can I buy BAS 02053789?
You can request a quote for BAS 02053789 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02053789?
Yes, KEHONG BIO provides custom synthesis services for BAS 02053789 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.