3,5-Dimethoxyphthalic acid
TL;DR: 3,5-Dimethoxyphthalic acid (CAS 13133-05-6) is a chemical compound with molecular formula C10H10O6 and molecular weight 226.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethoxyphthalic acid
Also Known As: 3,5-Dimethoxyphthalic acid, 3,5-DIMETHOXYPHTHALICACID, 3,5-dimethoxybenzene-1,2-dicarboxylic acid, 3,5-Dimethoxy-1,2-benzenedicarboxylic acid, RefChem:271845
| Molecular Formula | C10H10O6 |
|---|---|
| Molecular Weight | 226.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.04774 |
| Heavy Atoms | 16 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 13133-05-6 |
|---|---|
| SMILES | COC1=CC(=C(C(=C1)OC)C(=O)O)C(=O)O |
| InChIKey | UQUKRJYHFUTWCC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dimethoxyphthalic acid (CAS 13133-05-6), with molecular formula C10H10O6 and molecular weight 226.05 g/mol. IUPAC: 3,5-dimethoxyphthalic acid.
Chemical Property Profile of 3,5-Dimethoxyphthalic acid
Property Insights of 3,5-Dimethoxyphthalic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethoxyphthalic acid. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dimethoxyphthalic acid. Following Lipinski's Rule of Five, 3,5-Dimethoxyphthalic acid has 2 hydrogen bond donor(s) and 6 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 3,5-Dimethoxyphthalic acid?
The CAS number of 3,5-Dimethoxyphthalic acid is 13133-05-6.
What is the molecular formula of 3,5-Dimethoxyphthalic acid?
The molecular formula of 3,5-Dimethoxyphthalic acid is C10H10O6.
What is the molecular weight of 3,5-Dimethoxyphthalic acid?
The molecular weight of 3,5-Dimethoxyphthalic acid is 226.05 g/mol.
Where can I buy 3,5-Dimethoxyphthalic acid?
You can request a quote for 3,5-Dimethoxyphthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethoxyphthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethoxyphthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.