4,6-Dimethylisophthalic Acid
TL;DR: 4,6-Dimethylisophthalic Acid (CAS 2790-09-2) is a chemical compound with molecular formula C10H10O4 and molecular weight 194.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethylbenzene-1,3-dicarboxylic acid
Also Known As: 4,6-dimethylisophthalic acid, 4,6-dimethylbenzene-1,3-dicarboxylic acid, 4.6-Dimethylisophthalsaure, 4,6-dimethylisophthalicacid, 4 6-DIMETHYLISOPHTHALIC ACID 1G
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.0579 |
| Heavy Atoms | 14 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 2790-09-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C(=O)O)C(=O)O)C |
| InChIKey | HAYIPGIFANTODX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,6-Dimethylisophthalic Acid (CAS 2790-09-2), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: 4,6-dimethylbenzene-1,3-dicarboxylic acid.
Chemical Property Profile of 4,6-Dimethylisophthalic Acid
Property Insights of 4,6-Dimethylisophthalic Acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dimethylisophthalic Acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Dimethylisophthalic Acid. Following Lipinski's Rule of Five, 4,6-Dimethylisophthalic Acid has 2 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 4,6-Dimethylisophthalic Acid?
The CAS number of 4,6-Dimethylisophthalic Acid is 2790-09-2.
What is the molecular formula of 4,6-Dimethylisophthalic Acid?
The molecular formula of 4,6-Dimethylisophthalic Acid is C10H10O4.
What is the molecular weight of 4,6-Dimethylisophthalic Acid?
The molecular weight of 4,6-Dimethylisophthalic Acid is 194.06 g/mol.
Where can I buy 4,6-Dimethylisophthalic Acid?
You can request a quote for 4,6-Dimethylisophthalic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dimethylisophthalic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dimethylisophthalic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.