甲磺草胺
TL;DR: 甲磺草胺 (CAS 122836-35-5) is a chemical compound with molecular formula C11H10Cl2F2N4O3S and molecular weight 385.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲磺草胺
N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide
Also Known As: Sulfentrazone, Authority, boral, Spartan, Sulfentrazon
| Molecular Formula | C11H10Cl2F2N4O3S |
|---|---|
| Molecular Weight | 385.98 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 90.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.98187 |
| Heavy Atoms | 23 |
| Complexity | 613.0 |
| Melting Point | 121-123 °C |
| Density | 1.21 g/ml @ 20 °C |
| Solubility | In water, 110 mg/l (pH 6) at 25 °C; 780 mg/l (pH 7) at 25 °C; 16000 mg/l (pH 7.5) at 25 °C |
| Vapor Pressure | 9.75X10-10 mm Hg @ 25 °C |
Chemical Identifiers
| CAS Number | 122836-35-5 |
|---|---|
| SMILES | CC1=NN(C(=O)N1C(F)F)C2=C(C=C(C(=C2)NS(=O)(=O)C)Cl)Cl |
| InChIKey | OORLZFUTLGXMEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲磺草胺 (CAS 122836-35-5), with molecular formula C11H10Cl2F2N4O3S and molecular weight 385.98 g/mol. IUPAC: N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide.
Chemical Property Profile of 甲磺草胺
Property Insights of 甲磺草胺
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲磺草胺. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 甲磺草胺. Following Lipinski's Rule of Five, 甲磺草胺 has 1 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 甲磺草胺?
The CAS number of 甲磺草胺 is 122836-35-5.
What is the molecular formula of 甲磺草胺?
The molecular formula of 甲磺草胺 is C11H10Cl2F2N4O3S.
What is the molecular weight of 甲磺草胺?
The molecular weight of 甲磺草胺 is 385.98 g/mol.
Where can I buy 甲磺草胺?
You can request a quote for 甲磺草胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲磺草胺?
Yes, KEHONG BIO provides custom synthesis services for 甲磺草胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.