BAS 01940113
TL;DR: BAS 01940113 (CAS 5124-55-0) is a chemical compound with molecular formula C18H16ClN5O3S and molecular weight 417.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide
Also Known As: BAS 01940113, 2-{[5-(4-Chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methyl-5-nitrophenyl)acetamide, 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide, 2-[5-(4-chlorophenyl)-4-methyl(1,2,4-triazol-3-ylthio)]-N-(2-methyl-5-nitrophe nyl)acetamide
| Molecular Formula | C18H16ClN5O3S |
|---|---|
| Molecular Weight | 417.07 g/mol |
| LogP | 4.08292 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.06622 |
| Heavy Atoms | 28 |
| Complexity | 1036.2004 |
Chemical Identifiers
| CAS Number | 5124-55-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)Cl |
Product Overview
BAS 01940113 (CAS 5124-55-0), with molecular formula C18H16ClN5O3S and molecular weight 417.07 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide.
Chemical Property Profile of BAS 01940113
Property Insights of BAS 01940113
The XLogP value of 4.08292 indicates that BAS 01940113 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 01940113. Following Lipinski's Rule of Five, BAS 01940113 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 01940113?
The CAS number of BAS 01940113 is 5124-55-0.
What is the molecular formula of BAS 01940113?
The molecular formula of BAS 01940113 is C18H16ClN5O3S.
What is the molecular weight of BAS 01940113?
The molecular weight of BAS 01940113 is 417.07 g/mol.
Where can I buy BAS 01940113?
You can request a quote for BAS 01940113 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01940113?
Yes, KEHONG BIO provides custom synthesis services for BAS 01940113 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.