BAS 02138615
TL;DR: BAS 02138615 (CAS 333313-79-4) is a chemical compound with molecular formula C18H17ClN6O3S and molecular weight 432.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)acetamide
Also Known As: BAS 02138615, 2-[[5-[[(4-Chlorophenyl)amino]methyl]-4-methyl-4H-1,2,4-triazol-3-yl]thio]-N-(2-nitrophenyl)acetamide, 2-({5-[(4-Chloroanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-nitrophenyl)acetamide, 2-[[5-[(4-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)acetamide
| Molecular Formula | C18H17ClN6O3S |
|---|---|
| Molecular Weight | 432.08 g/mol |
| LogP | 3.7196 |
| Topological Polar Surface Area | 114.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 432.07715 |
| Heavy Atoms | 29 |
| Complexity | 1024.6908 |
Chemical Identifiers
| CAS Number | 333313-79-4 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2[N+](=O)[O-])CNC3=CC=C(C=C3)Cl |
Product Overview
BAS 02138615 (CAS 333313-79-4), with molecular formula C18H17ClN6O3S and molecular weight 432.08 g/mol. IUPAC: 2-[[5-[(4-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)acetamide.
Chemical Property Profile of BAS 02138615
Property Insights of BAS 02138615
The XLogP value of 3.7196 indicates that BAS 02138615 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 02138615. Following Lipinski's Rule of Five, BAS 02138615 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 02138615?
The CAS number of BAS 02138615 is 333313-79-4.
What is the molecular formula of BAS 02138615?
The molecular formula of BAS 02138615 is C18H17ClN6O3S.
What is the molecular weight of BAS 02138615?
The molecular weight of BAS 02138615 is 432.08 g/mol.
Where can I buy BAS 02138615?
You can request a quote for BAS 02138615 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02138615?
Yes, KEHONG BIO provides custom synthesis services for BAS 02138615 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.