1,3-Benzenedicarboxylic acid, 5-hydroxy-, 1,3-dimethyl ester
TL;DR: 1,3-Benzenedicarboxylic acid, 5-hydroxy-, 1,3-dimethyl ester (CAS 13036-02-7) is a chemical compound with molecular formula C10H10O5 and molecular weight 210.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-hydroxybenzene-1,3-dicarboxylate
Also Known As: Dimethyl 5-hydroxyisophthalate, Dimethyl 5-hydroxybenzene-1,3-dicarboxylate, 5-Hydroxyisophthalic Acid Dimethyl Ester, Dimethyl5-hydroxyisophthalate, dimethyl 5-hydroxyisophtalate
| Molecular Formula | C10H10O5 |
|---|---|
| Molecular Weight | 210.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.05283 |
| Heavy Atoms | 15 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 13036-02-7 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)O)C(=O)OC |
| InChIKey | DOSDTCPDBPRFHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzenedicarboxylic acid, 5-hydroxy-, 1,3-dimethyl ester (CAS 13036-02-7), with molecular formula C10H10O5 and molecular weight 210.05 g/mol. IUPAC: dimethyl 5-hydroxybenzene-1,3-dicarboxylate.
Chemical Property Profile of 1,3-Benzenedicarboxylic acid, 5-hydroxy-, 1,3-dimethyl ester
Property Insights of 1,3-Benzenedicarboxylic acid, 5-hydroxy-, 1,3-dimethyl ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzenedicarboxylic acid, 5-hydroxy-, 1,3-dimethyl ester. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenedicarboxylic acid, 5-hydroxy-, 1,3-dimethyl ester. Following Lipinski's Rule of Five, 1,3-Benzenedicarboxylic acid, 5-hydroxy-, 1,3-dimethyl ester has 1 hydrogen bond donor(s) and 5 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 1,3-Benzenedicarboxylic acid, 5-hydroxy-, 1,3-dimethyl ester?
The CAS number of 1,3-Benzenedicarboxylic acid, 5-hydroxy-, 1,3-dimethyl ester is 13036-02-7.
What is the molecular formula of 1,3-Benzenedicarboxylic acid, 5-hydroxy-, 1,3-dimethyl ester?
The molecular formula of 1,3-Benzenedicarboxylic acid, 5-hydroxy-, 1,3-dimethyl ester is C10H10O5.
What is the molecular weight of 1,3-Benzenedicarboxylic acid, 5-hydroxy-, 1,3-dimethyl ester?
The molecular weight of 1,3-Benzenedicarboxylic acid, 5-hydroxy-, 1,3-dimethyl ester is 210.05 g/mol.
Where can I buy 1,3-Benzenedicarboxylic acid, 5-hydroxy-, 1,3-dimethyl ester?
You can request a quote for 1,3-Benzenedicarboxylic acid, 5-hydroxy-, 1,3-dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenedicarboxylic acid, 5-hydroxy-, 1,3-dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedicarboxylic acid, 5-hydroxy-, 1,3-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.