![3-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid structure](/static/products/1005/1005243-71-9.webp)
3-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
TL;DR: 3-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 1005243-71-9) is a chemical compound with molecular formula C20H20N4O5S and molecular weight 428.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: 3-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}anilino)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 2-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 3-((4-(N-(4-methylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[N-(4-{[(4-methylpyrimidin-2-yl)amino]sulfonyl}phenyl)carbamoyl]bicyclo[2.2. 1]hept-5-ene-2-carboxylic acid
| Molecular Formula | C20H20N4O5S |
|---|---|
| Molecular Weight | 428.12 g/mol |
| LogP | 2.04722 |
| Topological Polar Surface Area | 138.35 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.11545 |
| Heavy Atoms | 30 |
| Complexity | 1130.1407 |
Chemical Identifiers
| CAS Number | 1005243-71-9 |
|---|---|
| SMILES | CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3C4CC(C3C(=O)O)C=C4 |
Product Overview
3-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 1005243-71-9), with molecular formula C20H20N4O5S and molecular weight 428.12 g/mol. IUPAC: 3-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
Chemical Property Profile of 3-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Property Insights of 3-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
The XLogP value of 2.04722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid. The TPSA of 138.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid has 3 hydrogen bond donor(s) and 6 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 3-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The CAS number of 3-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 1005243-71-9.
What is the molecular formula of 3-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular formula of 3-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is C20H20N4O5S.
What is the molecular weight of 3-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular weight of 3-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 428.12 g/mol.
Where can I buy 3-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
You can request a quote for 3-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.