1-Methylcyclohex-2-ene-1,2-dicarboxylic acid
TL;DR: 1-Methylcyclohex-2-ene-1,2-dicarboxylic acid (CAS 70375-79-0) is a chemical compound with molecular formula C9H12O4 and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylcyclohex-2-ene-1,2-dicarboxylic acid
Also Known As: 1-methylcyclohex-2-ene-1,2-dicarboxylic acid, 1,4,5,6-Tetrahydro-1-methylphthalic acid, 1-Methyl-2-cyclohexene-1,2-dicarboxylic acid, 1-methyl-cyclohex-2-ene-1,2-dicarboxylic acid
| Molecular Formula | C9H12O4 |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.07356 |
| Heavy Atoms | 13 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 70375-79-0 |
|---|---|
| SMILES | CC1(CCCC=C1C(=O)O)C(=O)O |
| InChIKey | PCVSTKYNEXPKMI-UHFFFAOYSA-N |
Product Overview
1-Methylcyclohex-2-ene-1,2-dicarboxylic acid (CAS 70375-79-0), with molecular formula C9H12O4 and molecular weight 184.07 g/mol. IUPAC: 1-methylcyclohex-2-ene-1,2-dicarboxylic acid.
Chemical Property Profile of 1-Methylcyclohex-2-ene-1,2-dicarboxylic acid
Property Insights of 1-Methylcyclohex-2-ene-1,2-dicarboxylic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylcyclohex-2-ene-1,2-dicarboxylic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methylcyclohex-2-ene-1,2-dicarboxylic acid. Following Lipinski's Rule of Five, 1-Methylcyclohex-2-ene-1,2-dicarboxylic 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 1-Methylcyclohex-2-ene-1,2-dicarboxylic acid?
The CAS number of 1-Methylcyclohex-2-ene-1,2-dicarboxylic acid is 70375-79-0.
What is the molecular formula of 1-Methylcyclohex-2-ene-1,2-dicarboxylic acid?
The molecular formula of 1-Methylcyclohex-2-ene-1,2-dicarboxylic acid is C9H12O4.
What is the molecular weight of 1-Methylcyclohex-2-ene-1,2-dicarboxylic acid?
The molecular weight of 1-Methylcyclohex-2-ene-1,2-dicarboxylic acid is 184.07 g/mol.
Where can I buy 1-Methylcyclohex-2-ene-1,2-dicarboxylic acid?
You can request a quote for 1-Methylcyclohex-2-ene-1,2-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylcyclohex-2-ene-1,2-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylcyclohex-2-ene-1,2-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.