Methyltetrahydrophthalic acid
TL;DR: Methyltetrahydrophthalic acid (CAS 27636-35-7) 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.
2-methylcyclohex-3-ene-1,2-dicarboxylic acid
Also Known As: Mthp acid, Methyltetrahydrophthalic acid, methyltetrahydrophthalicacid, 2-methylcyclohex-3-ene-1,2-dicarboxylic acid, Methyl-4-cyclohexene-1,2-dicarboxylic acid
| Molecular Formula | C9H12O4 |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 0.9 |
| 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 | 269.0 |
Chemical Identifiers
| CAS Number | 27636-35-7 |
|---|---|
| SMILES | CC1(C=CCCC1C(=O)O)C(=O)O |
| InChIKey | ODGCZQFTJDEYNI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyltetrahydrophthalic acid (CAS 27636-35-7), with molecular formula C9H12O4 and molecular weight 184.07 g/mol. IUPAC: 2-methylcyclohex-3-ene-1,2-dicarboxylic acid.
Chemical Property Profile of Methyltetrahydrophthalic acid
Property Insights of Methyltetrahydrophthalic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyltetrahydrophthalic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyltetrahydrophthalic acid. Following Lipinski's Rule of Five, Methyltetrahydrophthalic 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 Methyltetrahydrophthalic acid?
The CAS number of Methyltetrahydrophthalic acid is 27636-35-7.
What is the molecular formula of Methyltetrahydrophthalic acid?
The molecular formula of Methyltetrahydrophthalic acid is C9H12O4.
What is the molecular weight of Methyltetrahydrophthalic acid?
The molecular weight of Methyltetrahydrophthalic acid is 184.07 g/mol.
Where can I buy Methyltetrahydrophthalic acid?
You can request a quote for Methyltetrahydrophthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyltetrahydrophthalic acid?
Yes, KEHONG BIO provides custom synthesis services for Methyltetrahydrophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.