![2-[(2-methylsulfanylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid structure](/static/products/100/1005153-34-3.png)
2-[(2-methylsulfanylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid
TL;DR: 2-[(2-methylsulfanylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid (CAS 1005153-34-3) is a chemical compound with molecular formula C16H17NO3S and molecular weight 303.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-methylsulfanylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: 2-[(2-methylsulfanylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 3-((2-(methylthio)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[N-(2-methylthiophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-{[2-(METHYLSULFANYL)ANILINO]CARBONYL}BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID, 3-{[2-(methylsulfanyl)phenyl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
| Molecular Formula | C16H17NO3S |
|---|---|
| Molecular Weight | 303.09 g/mol |
| LogP | 2.8699 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.09293 |
| Heavy Atoms | 21 |
| Complexity | 613.29456 |
Chemical Identifiers
| CAS Number | 1005153-34-3 |
|---|---|
| SMILES | CSC1=CC=CC=C1NC(=O)C2C3CC(C2C(=O)O)C=C3 |
Product Overview
2-[(2-methylsulfanylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid (CAS 1005153-34-3), with molecular formula C16H17NO3S and molecular weight 303.09 g/mol. IUPAC: 3-[(2-methylsulfanylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
Chemical Property Profile of 2-[(2-methylsulfanylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid
Property Insights of 2-[(2-methylsulfanylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid
The XLogP value of 2.8699 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-methylsulfanylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-methylsulfanylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid. Following Lipinski's Rule of Five, 2-[(2-methylsulfanylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid has 2 hydrogen bond donor(s) and 3 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 2-[(2-methylsulfanylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid?
The CAS number of 2-[(2-methylsulfanylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid is 1005153-34-3.
What is the molecular formula of 2-[(2-methylsulfanylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid?
The molecular formula of 2-[(2-methylsulfanylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid is C16H17NO3S.
What is the molecular weight of 2-[(2-methylsulfanylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid?
The molecular weight of 2-[(2-methylsulfanylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid is 303.09 g/mol.
Where can I buy 2-[(2-methylsulfanylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid?
You can request a quote for 2-[(2-methylsulfanylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-methylsulfanylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-methylsulfanylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.