![(1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid structure](/static/products/1005/1005138-64-6.webp)
(1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
TL;DR: (1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 1005138-64-6) is a chemical compound with molecular formula C21H22N4O5S and molecular weight 442.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: (1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 2-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
| Molecular Formula | C21H22N4O5S |
|---|---|
| Molecular Weight | 442.13 g/mol |
| LogP | 2.35564 |
| Topological Polar Surface Area | 138.35 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.1311 |
| Heavy Atoms | 31 |
| Complexity | 1156.5063 |
Chemical Identifiers
| CAS Number | 1005138-64-6 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3C4CC(C3C(=O)O)C=C4)C |
Product Overview
(1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 1005138-64-6), with molecular formula C21H22N4O5S and molecular weight 442.13 g/mol. IUPAC: 3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
Chemical Property Profile of (1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Property Insights of (1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
The XLogP value of 2.35564 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-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 (1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid. Following Lipinski's Rule of Five, (1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-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 (1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The CAS number of (1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 1005138-64-6.
What is the molecular formula of (1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular formula of (1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is C21H22N4O5S.
What is the molecular weight of (1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular weight of (1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 442.13 g/mol.
Where can I buy (1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
You can request a quote for (1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-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 (1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-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.