beta-Resorcylic acid, 5-methyl-
TL;DR: beta-Resorcylic acid, 5-methyl- (CAS 4780-64-7) is a chemical compound with molecular formula C8H8O4 and molecular weight 168.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dihydroxy-5-methylbenzoic acid
Also Known As: 2,4-Dihydroxy-5-methylbenzoic acid, 5-Methyl-beta-resorcylic acid, beta-Resorcylic acid, 5-methyl-, 2,4-dihydroxy-5-methyl-benzoic acid, 2,4-DIHYDROXY-5-METHYLBENZOICACID
| Molecular Formula | C8H8O4 |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.04225 |
| Heavy Atoms | 12 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 4780-64-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1O)O)C(=O)O |
| InChIKey | YLRJQJWRABXQKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Resorcylic acid, 5-methyl- (CAS 4780-64-7), with molecular formula C8H8O4 and molecular weight 168.04 g/mol. IUPAC: 2,4-dihydroxy-5-methylbenzoic acid.
Chemical Property Profile of beta-Resorcylic acid, 5-methyl-
Property Insights of beta-Resorcylic acid, 5-methyl-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Resorcylic acid, 5-methyl-. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Resorcylic acid, 5-methyl-. Following Lipinski's Rule of Five, beta-Resorcylic acid, 5-methyl- has 3 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 beta-Resorcylic acid, 5-methyl-?
The CAS number of beta-Resorcylic acid, 5-methyl- is 4780-64-7.
What is the molecular formula of beta-Resorcylic acid, 5-methyl-?
The molecular formula of beta-Resorcylic acid, 5-methyl- is C8H8O4.
What is the molecular weight of beta-Resorcylic acid, 5-methyl-?
The molecular weight of beta-Resorcylic acid, 5-methyl- is 168.04 g/mol.
Where can I buy beta-Resorcylic acid, 5-methyl-?
You can request a quote for beta-Resorcylic acid, 5-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Resorcylic acid, 5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for beta-Resorcylic acid, 5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.