Benzoic acid, 2-(((((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester
TL;DR: Benzoic acid, 2-(((((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester (CAS 87474-61-1) is a chemical compound with molecular formula C15H14F2N4O6S and molecular weight 416.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-(difluoromethoxy)-6-methylpyrimidin-2-yl]carbamoylsulfamoyl]benzoate
Also Known As: Benzoic acid, 2-(((((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester, Benzoic acid, 2-[[[[[4-(difluoromethoxy)-6-methyl-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester, Methyl 2-(N-((4-(difluoromethoxy)-6-methylpyrimidin-2-yl)carbamoyl)sulfamoyl)benzoate, Methyl 2-({[4-(difluoromethoxy)-6-methylpyrimidin-2-yl]carbamoyl}sulfamoyl)benzoate, Methyl 2-[[4-(difluoromethoxy)-6-methyl-pyrimidin-2-yl]carbamoylsulfamoyl]benzoate
| Molecular Formula | C15H14F2N4O6S |
|---|---|
| Molecular Weight | 416.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.0602 |
| Heavy Atoms | 28 |
| Complexity | 659.0 |
Chemical Identifiers
| CAS Number | 87474-61-1 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)OC(F)F |
| InChIKey | JHGOBHSWGULGTR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 2-(((((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester (CAS 87474-61-1), with molecular formula C15H14F2N4O6S and molecular weight 416.06 g/mol. IUPAC: methyl 2-[[4-(difluoromethoxy)-6-methylpyrimidin-2-yl]carbamoylsulfamoyl]benzoate.
Chemical Property Profile of Benzoic acid, 2-(((((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester
Property Insights of Benzoic acid, 2-(((((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-(((((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester. The TPSA of 145.0 Ų indicates high polarity, suggesting Benzoic acid, 2-(((((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, 2-(((((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester has 2 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 Benzoic acid, 2-(((((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester?
The CAS number of Benzoic acid, 2-(((((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester is 87474-61-1.
What is the molecular formula of Benzoic acid, 2-(((((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester?
The molecular formula of Benzoic acid, 2-(((((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester is C15H14F2N4O6S.
What is the molecular weight of Benzoic acid, 2-(((((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester?
The molecular weight of Benzoic acid, 2-(((((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester is 416.06 g/mol.
Where can I buy Benzoic acid, 2-(((((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester?
You can request a quote for Benzoic acid, 2-(((((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-(((((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-(((((4-(difluoromethoxy)-6-methyl-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.