4-Methylcatechol
TL;DR: 4-Methylcatechol (CAS 452-86-8) is a chemical compound with molecular formula C7H8O2 and molecular weight 124.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylbenzene-1,2-diol
Also Known As: 4-Methylcatechol, 4-methylbenzene-1,2-diol, Homocatechol, 3,4-Dihydroxytoluene, Homopyrocatechol
| Molecular Formula | C7H8O2 |
|---|---|
| Molecular Weight | 124.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 124.05243 |
| Heavy Atoms | 9 |
| Complexity | 92.0 |
| Melting Point | 65 |
| Boiling Point | 251 |
| Vapor Pressure | 0.0028 [mmHg] |
Chemical Identifiers
| CAS Number | 452-86-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)O)O |
| InChIKey | ZBCATMYQYDCTIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methylcatechol (CAS 452-86-8), with molecular formula C7H8O2 and molecular weight 124.05 g/mol. IUPAC: 4-methylbenzene-1,2-diol.
Chemical Property Profile of 4-Methylcatechol
Property Insights of 4-Methylcatechol
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylcatechol. With a topological polar surface area (TPSA) of 40.5 Ų, 4-Methylcatechol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylcatechol has 2 hydrogen bond donor(s) and 2 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 4-Methylcatechol?
The CAS number of 4-Methylcatechol is 452-86-8.
What is the molecular formula of 4-Methylcatechol?
The molecular formula of 4-Methylcatechol is C7H8O2.
What is the molecular weight of 4-Methylcatechol?
The molecular weight of 4-Methylcatechol is 124.05 g/mol.
Where can I buy 4-Methylcatechol?
You can request a quote for 4-Methylcatechol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylcatechol?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylcatechol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.