p-CYMENE-2-CARBOXYLIC ACID, 3-HYDROXY-, METHYL ESTER
TL;DR: p-CYMENE-2-CARBOXYLIC ACID, 3-HYDROXY-, METHYL ESTER (CAS 6547-90-6) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hydroxy-6-methyl-3-propan-2-ylbenzoate
Also Known As: 3-Hydroxy-p-cymene-2-carboxylic acid methyl ester, Methyl 2-hydroxy-3-isopropyl-6-methylbenzoate, p-CYMENE-2-CARBOXYLIC ACID, 3-HYDROXY-, METHYL ESTER, methyl 2-hydroxy-6-methyl-3-propan-2-ylbenzoate, 4-10-00-00735 (Beilstein Handbook Reference)
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 6547-90-6 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C(C)C)O)C(=O)OC |
| InChIKey | KGKUFUAVDRILEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-CYMENE-2-CARBOXYLIC ACID, 3-HYDROXY-, METHYL ESTER (CAS 6547-90-6), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: methyl 2-hydroxy-6-methyl-3-propan-2-ylbenzoate.
Chemical Property Profile of p-CYMENE-2-CARBOXYLIC ACID, 3-HYDROXY-, METHYL ESTER
Property Insights of p-CYMENE-2-CARBOXYLIC ACID, 3-HYDROXY-, METHYL ESTER
The XLogP value of 3.5 indicates that p-CYMENE-2-CARBOXYLIC ACID, 3-HYDROXY-, METHYL ESTER is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, p-CYMENE-2-CARBOXYLIC ACID, 3-HYDROXY-, METHYL ESTER exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-CYMENE-2-CARBOXYLIC ACID, 3-HYDROXY-, METHYL ESTER has 1 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 p-CYMENE-2-CARBOXYLIC ACID, 3-HYDROXY-, METHYL ESTER?
The CAS number of p-CYMENE-2-CARBOXYLIC ACID, 3-HYDROXY-, METHYL ESTER is 6547-90-6.
What is the molecular formula of p-CYMENE-2-CARBOXYLIC ACID, 3-HYDROXY-, METHYL ESTER?
The molecular formula of p-CYMENE-2-CARBOXYLIC ACID, 3-HYDROXY-, METHYL ESTER is C12H16O3.
What is the molecular weight of p-CYMENE-2-CARBOXYLIC ACID, 3-HYDROXY-, METHYL ESTER?
The molecular weight of p-CYMENE-2-CARBOXYLIC ACID, 3-HYDROXY-, METHYL ESTER is 208.11 g/mol.
Where can I buy p-CYMENE-2-CARBOXYLIC ACID, 3-HYDROXY-, METHYL ESTER?
You can request a quote for p-CYMENE-2-CARBOXYLIC ACID, 3-HYDROXY-, METHYL ESTER directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-CYMENE-2-CARBOXYLIC ACID, 3-HYDROXY-, METHYL ESTER?
Yes, KEHONG BIO provides custom synthesis services for p-CYMENE-2-CARBOXYLIC ACID, 3-HYDROXY-, METHYL ESTER and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.