甲磺隆
TL;DR: 甲磺隆 (CAS 74223-64-6) is a chemical compound with molecular formula C14H15N5O6S and molecular weight 381.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲磺隆
methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
Also Known As: METSULFURON-METHYL, Metsulfuron methyl, Gropper, Escort, Granstar
| Molecular Formula | C14H15N5O6S |
|---|---|
| Molecular Weight | 381.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.0743 |
| Heavy Atoms | 26 |
| Complexity | 609.0 |
| Melting Point | 163 °C |
| Solubility | Solubility (mg/L at 25 °C): hexane 5.84X10-1, ethyl acetate 1.11X10+4, methanol 7.63X10+3, acetone 3.7X10+4, dichloromethane 1.32X10+5, toluene 1.24X10+3. |
| Vapor Pressure | 0.000058 [mmHg] |
Chemical Identifiers
| CAS Number | 74223-64-6 |
|---|---|
| SMILES | CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC |
| InChIKey | RSMUVYRMZCOLBH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲磺隆 (CAS 74223-64-6), with molecular formula C14H15N5O6S and molecular weight 381.07 g/mol. IUPAC: methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate.
Chemical Property Profile of 甲磺隆
Property Insights of 甲磺隆
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲磺隆. The TPSA of 158.0 Ų indicates high polarity, suggesting 甲磺隆 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 甲磺隆 has 2 hydrogen bond donor(s) and 9 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 甲磺隆?
The CAS number of 甲磺隆 is 74223-64-6.
What is the molecular formula of 甲磺隆?
The molecular formula of 甲磺隆 is C14H15N5O6S.
What is the molecular weight of 甲磺隆?
The molecular weight of 甲磺隆 is 381.07 g/mol.
Where can I buy 甲磺隆?
You can request a quote for 甲磺隆 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲磺隆?
Yes, KEHONG BIO provides custom synthesis services for 甲磺隆 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.