BAS 02137918
TL;DR: BAS 02137918 (CAS 335220-82-1) is a chemical compound with molecular formula C17H21N5O3S and molecular weight 375.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
Also Known As: BAS 02137918, 2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide, 2-[(5-Cyclohexyl-4-methyl-4H-1,2,4-triazol-3-yl)thio]-N-(4-nitrophenyl)acetamide, 2-[(5-cyclohexyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-{4-nitrophenyl}acetamide, 2-[(5-Cyclohexyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
| Molecular Formula | C17H21N5O3S |
|---|---|
| Molecular Weight | 375.14 g/mol |
| LogP | 3.5018 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.1365 |
| Heavy Atoms | 26 |
| Complexity | 784.1961 |
Chemical Identifiers
| CAS Number | 335220-82-1 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3CCCCC3 |
Product Overview
BAS 02137918 (CAS 335220-82-1), with molecular formula C17H21N5O3S and molecular weight 375.14 g/mol. IUPAC: 2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide.
Chemical Property Profile of BAS 02137918
Property Insights of BAS 02137918
The XLogP value of 3.5018 indicates that BAS 02137918 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 02137918. Following Lipinski's Rule of Five, BAS 02137918 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 02137918?
The CAS number of BAS 02137918 is 335220-82-1.
What is the molecular formula of BAS 02137918?
The molecular formula of BAS 02137918 is C17H21N5O3S.
What is the molecular weight of BAS 02137918?
The molecular weight of BAS 02137918 is 375.14 g/mol.
Where can I buy BAS 02137918?
You can request a quote for BAS 02137918 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02137918?
Yes, KEHONG BIO provides custom synthesis services for BAS 02137918 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.