4,5-Dihydroxy-2-methylbenzoic acid
TL;DR: 4,5-Dihydroxy-2-methylbenzoic acid (CAS 127531-40-2) 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.
4,5-dihydroxy-2-methylbenzoic acid
Also Known As: 4,5-dihydroxy-2-methylbenzoic acid, Benzoic acid, 4,5-dihydroxy-2-methyl-, 2-methyl-4,5-dihydroxybenzoic acid, 4,5-dihydroxy-2-methyl-benzoic Acid, J2.569.929G
| Molecular Formula | C8H8O4 |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | 1.10442 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.04225 |
| Heavy Atoms | 12 |
| Complexity | 330.0749 |
Chemical Identifiers
| CAS Number | 127531-40-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C(=O)O)O)O |
Product Overview
4,5-Dihydroxy-2-methylbenzoic acid (CAS 127531-40-2), with molecular formula C8H8O4 and molecular weight 168.04 g/mol. IUPAC: 4,5-dihydroxy-2-methylbenzoic acid.
Chemical Property Profile of 4,5-Dihydroxy-2-methylbenzoic acid
Property Insights of 4,5-Dihydroxy-2-methylbenzoic acid
The XLogP value of 1.10442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dihydroxy-2-methylbenzoic acid. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dihydroxy-2-methylbenzoic acid. Following Lipinski's Rule of Five, 4,5-Dihydroxy-2-methylbenzoic acid has 3 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 4,5-Dihydroxy-2-methylbenzoic acid?
The CAS number of 4,5-Dihydroxy-2-methylbenzoic acid is 127531-40-2.
What is the molecular formula of 4,5-Dihydroxy-2-methylbenzoic acid?
The molecular formula of 4,5-Dihydroxy-2-methylbenzoic acid is C8H8O4.
What is the molecular weight of 4,5-Dihydroxy-2-methylbenzoic acid?
The molecular weight of 4,5-Dihydroxy-2-methylbenzoic acid is 168.04 g/mol.
Where can I buy 4,5-Dihydroxy-2-methylbenzoic acid?
You can request a quote for 4,5-Dihydroxy-2-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dihydroxy-2-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dihydroxy-2-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.