4,5-Dimethoxy-2-methylbenzoic acid
TL;DR: 4,5-Dimethoxy-2-methylbenzoic acid (CAS 20736-28-1) is a chemical compound with molecular formula C10H12O4 and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethoxy-2-methylbenzoic acid
Also Known As: 4,5-dimethoxy-2-methylbenzoic acid, Benzoic acid, 4,5-dimethoxy-2-methyl-, 4,5-di-methoxy-o-toluic acid, 4,5-Dimethoxy-2-methylbenzoicAcid, 4,5-dimethoxy-2-methyl-benzoic Acid
| Molecular Formula | C10H12O4 |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 1.71042 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.07356 |
| Heavy Atoms | 14 |
| Complexity | 357.3848 |
Chemical Identifiers
| CAS Number | 20736-28-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C(=O)O)OC)OC |
Product Overview
4,5-Dimethoxy-2-methylbenzoic acid (CAS 20736-28-1), with molecular formula C10H12O4 and molecular weight 196.07 g/mol. IUPAC: 4,5-dimethoxy-2-methylbenzoic acid.
Chemical Property Profile of 4,5-Dimethoxy-2-methylbenzoic acid
Property Insights of 4,5-Dimethoxy-2-methylbenzoic acid
The XLogP value of 1.71042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dimethoxy-2-methylbenzoic acid. With a topological polar surface area (TPSA) of 55.76 Ų, 4,5-Dimethoxy-2-methylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dimethoxy-2-methylbenzoic acid 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 4,5-Dimethoxy-2-methylbenzoic acid?
The CAS number of 4,5-Dimethoxy-2-methylbenzoic acid is 20736-28-1.
What is the molecular formula of 4,5-Dimethoxy-2-methylbenzoic acid?
The molecular formula of 4,5-Dimethoxy-2-methylbenzoic acid is C10H12O4.
What is the molecular weight of 4,5-Dimethoxy-2-methylbenzoic acid?
The molecular weight of 4,5-Dimethoxy-2-methylbenzoic acid is 196.07 g/mol.
Where can I buy 4,5-Dimethoxy-2-methylbenzoic acid?
You can request a quote for 4,5-Dimethoxy-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-Dimethoxy-2-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dimethoxy-2-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.