6-((4-(methoxycarbonyl)phenyl)carbamoyl)-3,4-dimethylcyclohex-3-enecarboxylic acid
TL;DR: 6-((4-(methoxycarbonyl)phenyl)carbamoyl)-3,4-dimethylcyclohex-3-enecarboxylic acid (CAS 904812-08-4) is a chemical compound with molecular formula C18H21NO5 and molecular weight 331.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-methoxycarbonylphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Also Known As: 6-((4-(methoxycarbonyl)phenyl)carbamoyl)-3,4-dimethylcyclohex-3-enecarboxylic acid, 6-[(4-methoxycarbonylphenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic Acid, 6-[(4-methoxycarbonylphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid, 6-{[4-(methoxycarbonyl)phenyl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid, 6-{N-[4-(methoxycarbonyl)phenyl]carbamoyl}-3,4-dimethylcyclohex-3-enecarboxyli c acid
| Molecular Formula | C18H21NO5 |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | 2.8589 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.14197 |
| Heavy Atoms | 24 |
| Complexity | 689.8656 |
Chemical Identifiers
| CAS Number | 904812-08-4 |
|---|---|
| SMILES | CC1=C(CC(C(C1)C(=O)NC2=CC=C(C=C2)C(=O)OC)C(=O)O)C |
Product Overview
6-((4-(methoxycarbonyl)phenyl)carbamoyl)-3,4-dimethylcyclohex-3-enecarboxylic acid (CAS 904812-08-4), with molecular formula C18H21NO5 and molecular weight 331.14 g/mol. IUPAC: 6-[(4-methoxycarbonylphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of 6-((4-(methoxycarbonyl)phenyl)carbamoyl)-3,4-dimethylcyclohex-3-enecarboxylic acid
Property Insights of 6-((4-(methoxycarbonyl)phenyl)carbamoyl)-3,4-dimethylcyclohex-3-enecarboxylic acid
The XLogP value of 2.8589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-((4-(methoxycarbonyl)phenyl)carbamoyl)-3,4-dimethylcyclohex-3-enecarboxylic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-((4-(methoxycarbonyl)phenyl)carbamoyl)-3,4-dimethylcyclohex-3-enecarboxylic acid. Following Lipinski's Rule of Five, 6-((4-(methoxycarbonyl)phenyl)carbamoyl)-3,4-dimethylcyclohex-3-enecarboxylic acid has 2 hydrogen bond donor(s) and 4 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 6-((4-(methoxycarbonyl)phenyl)carbamoyl)-3,4-dimethylcyclohex-3-enecarboxylic acid?
The CAS number of 6-((4-(methoxycarbonyl)phenyl)carbamoyl)-3,4-dimethylcyclohex-3-enecarboxylic acid is 904812-08-4.
What is the molecular formula of 6-((4-(methoxycarbonyl)phenyl)carbamoyl)-3,4-dimethylcyclohex-3-enecarboxylic acid?
The molecular formula of 6-((4-(methoxycarbonyl)phenyl)carbamoyl)-3,4-dimethylcyclohex-3-enecarboxylic acid is C18H21NO5.
What is the molecular weight of 6-((4-(methoxycarbonyl)phenyl)carbamoyl)-3,4-dimethylcyclohex-3-enecarboxylic acid?
The molecular weight of 6-((4-(methoxycarbonyl)phenyl)carbamoyl)-3,4-dimethylcyclohex-3-enecarboxylic acid is 331.14 g/mol.
Where can I buy 6-((4-(methoxycarbonyl)phenyl)carbamoyl)-3,4-dimethylcyclohex-3-enecarboxylic acid?
You can request a quote for 6-((4-(methoxycarbonyl)phenyl)carbamoyl)-3,4-dimethylcyclohex-3-enecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-((4-(methoxycarbonyl)phenyl)carbamoyl)-3,4-dimethylcyclohex-3-enecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-((4-(methoxycarbonyl)phenyl)carbamoyl)-3,4-dimethylcyclohex-3-enecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.