3-methylnaphthalene-1,2-dicarboxylic Acid
TL;DR: 3-methylnaphthalene-1,2-dicarboxylic Acid (CAS 83536-61-2) is a chemical compound with molecular formula C13H10O4 and molecular weight 230.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylnaphthalene-1,2-dicarboxylic acid
Also Known As: 3-methylnaphthalene-1,2-dicarboxylic Acid, Naphthalenedicarboxylic acid, methyl-, 6-Hydroxymethylheptan-1,2,7-triol
| Molecular Formula | C13H10O4 |
|---|---|
| Molecular Weight | 230.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.0579 |
| Heavy Atoms | 17 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 83536-61-2 |
|---|---|
| SMILES | CC1=CC2=CC=CC=C2C(=C1C(=O)O)C(=O)O |
| InChIKey | IGPBLYQSLGWUDY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-methylnaphthalene-1,2-dicarboxylic Acid (CAS 83536-61-2), with molecular formula C13H10O4 and molecular weight 230.06 g/mol. IUPAC: 3-methylnaphthalene-1,2-dicarboxylic acid.
Chemical Property Profile of 3-methylnaphthalene-1,2-dicarboxylic Acid
Property Insights of 3-methylnaphthalene-1,2-dicarboxylic Acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methylnaphthalene-1,2-dicarboxylic Acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methylnaphthalene-1,2-dicarboxylic Acid. Following Lipinski's Rule of Five, 3-methylnaphthalene-1,2-dicarboxylic 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 3-methylnaphthalene-1,2-dicarboxylic Acid?
The CAS number of 3-methylnaphthalene-1,2-dicarboxylic Acid is 83536-61-2.
What is the molecular formula of 3-methylnaphthalene-1,2-dicarboxylic Acid?
The molecular formula of 3-methylnaphthalene-1,2-dicarboxylic Acid is C13H10O4.
What is the molecular weight of 3-methylnaphthalene-1,2-dicarboxylic Acid?
The molecular weight of 3-methylnaphthalene-1,2-dicarboxylic Acid is 230.06 g/mol.
Where can I buy 3-methylnaphthalene-1,2-dicarboxylic Acid?
You can request a quote for 3-methylnaphthalene-1,2-dicarboxylic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methylnaphthalene-1,2-dicarboxylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-methylnaphthalene-1,2-dicarboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.