![3,4-dimethyl-6-[(2-methylsulfanylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic Acid structure](/static/products/899/899585-57-0.png)
3,4-dimethyl-6-[(2-methylsulfanylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic Acid
TL;DR: 3,4-dimethyl-6-[(2-methylsulfanylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic Acid (CAS 899585-57-0) is a chemical compound with molecular formula C17H21NO3S and molecular weight 319.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethyl-6-[(2-methylsulfanylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Also Known As: 3,4-dimethyl-6-[(2-methylsulfanylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic Acid, 3,4-dimethyl-6-((2-(methylthio)phenyl)carbamoyl)cyclohex-3-enecarboxylic acid, 3,4-dimethyl-6-[N-(2-methylthiophenyl)carbamoyl]cyclohex-3-enecarboxylic acid, 3,4-dimethyl-6-{[2-(methylsulfanyl)phenyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid, 3,4-DIMETHYL-6-{[2-(METHYLSULFANYL)ANILINO]CARBONYL}-3-CYCLOHEXENE-1-CARBOXYLIC ACID
| Molecular Formula | C17H21NO3S |
|---|---|
| Molecular Weight | 319.12 g/mol |
| LogP | 3.7942 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.1242 |
| Heavy Atoms | 22 |
| Complexity | 624.085 |
Chemical Identifiers
| CAS Number | 899585-57-0 |
|---|---|
| SMILES | CC1=C(CC(C(C1)C(=O)NC2=CC=CC=C2SC)C(=O)O)C |
Product Overview
3,4-dimethyl-6-[(2-methylsulfanylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic Acid (CAS 899585-57-0), with molecular formula C17H21NO3S and molecular weight 319.12 g/mol. IUPAC: 3,4-dimethyl-6-[(2-methylsulfanylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of 3,4-dimethyl-6-[(2-methylsulfanylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic Acid
Property Insights of 3,4-dimethyl-6-[(2-methylsulfanylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic Acid
The XLogP value of 3.7942 indicates that 3,4-dimethyl-6-[(2-methylsulfanylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dimethyl-6-[(2-methylsulfanylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic Acid. Following Lipinski's Rule of Five, 3,4-dimethyl-6-[(2-methylsulfanylphenyl)carbamoyl]cyclohex-3-ene-1-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 3,4-dimethyl-6-[(2-methylsulfanylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic Acid?
The CAS number of 3,4-dimethyl-6-[(2-methylsulfanylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic Acid is 899585-57-0.
What is the molecular formula of 3,4-dimethyl-6-[(2-methylsulfanylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic Acid?
The molecular formula of 3,4-dimethyl-6-[(2-methylsulfanylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic Acid is C17H21NO3S.
What is the molecular weight of 3,4-dimethyl-6-[(2-methylsulfanylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic Acid?
The molecular weight of 3,4-dimethyl-6-[(2-methylsulfanylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic Acid is 319.12 g/mol.
Where can I buy 3,4-dimethyl-6-[(2-methylsulfanylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic Acid?
You can request a quote for 3,4-dimethyl-6-[(2-methylsulfanylphenyl)carbamoyl]cyclohex-3-ene-1-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-dimethyl-6-[(2-methylsulfanylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dimethyl-6-[(2-methylsulfanylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.