Cafenstrole
TL;DR: Cafenstrole (CAS 125306-83-4) is a chemical compound with molecular formula C16H22N4O3S and molecular weight 350.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole-1-carboxamide
Also Known As: Cafenstrole, Cafenstrole [ISO], GRACHITOR, HIMEADOW, N,N-Diethyl-3-mesitylsulfonyl-1H-1,2,4-triazole-1-carboxamide
| Molecular Formula | C16H22N4O3S |
|---|---|
| Molecular Weight | 350.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.14127 |
| Heavy Atoms | 24 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 125306-83-4 |
|---|---|
| SMILES | CCN(CC)C(=O)N1C=NC(=N1)S(=O)(=O)C2=C(C=C(C=C2C)C)C |
| InChIKey | HFEJHAAIJZXXRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cafenstrole (CAS 125306-83-4), with molecular formula C16H22N4O3S and molecular weight 350.14 g/mol. IUPAC: N,N-diethyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole-1-carboxamide.
Chemical Property Profile of Cafenstrole
Property Insights of Cafenstrole
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cafenstrole. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Cafenstrole. Following Lipinski's Rule of Five, Cafenstrole has 0 hydrogen bond donor(s) and 5 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 Cafenstrole?
The CAS number of Cafenstrole is 125306-83-4.
What is the molecular formula of Cafenstrole?
The molecular formula of Cafenstrole is C16H22N4O3S.
What is the molecular weight of Cafenstrole?
The molecular weight of Cafenstrole is 350.14 g/mol.
Where can I buy Cafenstrole?
You can request a quote for Cafenstrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cafenstrole?
Yes, KEHONG BIO provides custom synthesis services for Cafenstrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.