BAS 01918438
TL;DR: BAS 01918438 (CAS 332936-57-9) is a chemical compound with molecular formula C19H19N5O3S and molecular weight 397.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide
Also Known As: BAS 01918438, 2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide, 2-{[4-methyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methyl-5-nitrophenyl)acetamide, 2-[4-methyl-5-(2-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2-methyl-5-nitrophe nyl)acetamide
| Molecular Formula | C19H19N5O3S |
|---|---|
| Molecular Weight | 397.12 g/mol |
| LogP | 3.73794 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.12085 |
| Heavy Atoms | 28 |
| Complexity | 1047.7985 |
Chemical Identifiers
| CAS Number | 332936-57-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C)C3=CC=CC=C3C |
Product Overview
BAS 01918438 (CAS 332936-57-9), with molecular formula C19H19N5O3S and molecular weight 397.12 g/mol. IUPAC: 2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide.
Chemical Property Profile of BAS 01918438
Property Insights of BAS 01918438
The XLogP value of 3.73794 indicates that BAS 01918438 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 01918438. Following Lipinski's Rule of Five, BAS 01918438 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 01918438?
The CAS number of BAS 01918438 is 332936-57-9.
What is the molecular formula of BAS 01918438?
The molecular formula of BAS 01918438 is C19H19N5O3S.
What is the molecular weight of BAS 01918438?
The molecular weight of BAS 01918438 is 397.12 g/mol.
Where can I buy BAS 01918438?
You can request a quote for BAS 01918438 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01918438?
Yes, KEHONG BIO provides custom synthesis services for BAS 01918438 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.