1,3-Benzenedicarboxylic acid, 5-methyl-, monomethyl ester
TL;DR: 1,3-Benzenedicarboxylic acid, 5-methyl-, monomethyl ester (CAS 167299-68-5) is a chemical compound with molecular formula C10H9O4- and molecular weight 193.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxycarbonyl-5-methylbenzoate
Also Known As: 3-methoxycarbonyl-5-methylbenzoate, 3-methoxycarbonyl-5-methyl-benzoate, C10H9O4-, 1,3-Benzenedicarboxylic acid, 5-methyl-, monomethyl ester, 1,3-Benzenedicarboxylic acid, 5-methyl-, 1-methyl ester
| Molecular Formula | C10H9O4- |
|---|---|
| Molecular Weight | 193.05 g/mol |
| LogP | 0.14512 |
| Topological Polar Surface Area | 66.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.05008 |
| Heavy Atoms | 14 |
| Complexity | 381.70844 |
Chemical Identifiers
| CAS Number | 167299-68-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)C(=O)OC)C(=O)[O-] |
Product Overview
1,3-Benzenedicarboxylic acid, 5-methyl-, monomethyl ester (CAS 167299-68-5), with molecular formula C10H9O4- and molecular weight 193.05 g/mol. IUPAC: 3-methoxycarbonyl-5-methylbenzoate.
Chemical Property Profile of 1,3-Benzenedicarboxylic acid, 5-methyl-, monomethyl ester
Property Insights of 1,3-Benzenedicarboxylic acid, 5-methyl-, monomethyl ester
The XLogP value of 0.14512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzenedicarboxylic acid, 5-methyl-, monomethyl ester. The TPSA of 66.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenedicarboxylic acid, 5-methyl-, monomethyl ester. Following Lipinski's Rule of Five, 1,3-Benzenedicarboxylic acid, 5-methyl-, monomethyl ester has 0 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 1,3-Benzenedicarboxylic acid, 5-methyl-, monomethyl ester?
The CAS number of 1,3-Benzenedicarboxylic acid, 5-methyl-, monomethyl ester is 167299-68-5.
What is the molecular formula of 1,3-Benzenedicarboxylic acid, 5-methyl-, monomethyl ester?
The molecular formula of 1,3-Benzenedicarboxylic acid, 5-methyl-, monomethyl ester is C10H9O4-.
What is the molecular weight of 1,3-Benzenedicarboxylic acid, 5-methyl-, monomethyl ester?
The molecular weight of 1,3-Benzenedicarboxylic acid, 5-methyl-, monomethyl ester is 193.05 g/mol.
Where can I buy 1,3-Benzenedicarboxylic acid, 5-methyl-, monomethyl ester?
You can request a quote for 1,3-Benzenedicarboxylic acid, 5-methyl-, monomethyl 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-methyl-, monomethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedicarboxylic acid, 5-methyl-, monomethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.