胺苯磺隆
TL;DR: 胺苯磺隆 (CAS 111353-84-5) is a chemical compound with molecular formula C14H16N6O6S and molecular weight 396.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
胺苯磺隆
2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoic acid
Also Known As: Ethametsulfuron, Cilastatinesodium, Ethametsulfuron [ISO], Ethametsulfuron-methyl, ETHAMETSULFURON-METHYL 97%
| Molecular Formula | C14H16N6O6S |
|---|---|
| Molecular Weight | 396.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.0852 |
| Heavy Atoms | 27 |
| Complexity | 626.0 |
Chemical Identifiers
| CAS Number | 111353-84-5 |
|---|---|
| SMILES | CCOC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O)NC |
| InChIKey | IRLGCAJYYKDTCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
胺苯磺隆 (CAS 111353-84-5), with molecular formula C14H16N6O6S and molecular weight 396.09 g/mol. IUPAC: 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoic acid.
Chemical Property Profile of 胺苯磺隆
Property Insights of 胺苯磺隆
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 胺苯磺隆. The TPSA of 181.0 Ų indicates high polarity, suggesting 胺苯磺隆 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 胺苯磺隆 has 4 hydrogen bond donor(s) and 10 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 胺苯磺隆?
The CAS number of 胺苯磺隆 is 111353-84-5.
What is the molecular formula of 胺苯磺隆?
The molecular formula of 胺苯磺隆 is C14H16N6O6S.
What is the molecular weight of 胺苯磺隆?
The molecular weight of 胺苯磺隆 is 396.09 g/mol.
Where can I buy 胺苯磺隆?
You can request a quote for 胺苯磺隆 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 胺苯磺隆?
Yes, KEHONG BIO provides custom synthesis services for 胺苯磺隆 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.