1,2-Benzenedicarboxylic acid, ester with 1,2,3-propanetriol
TL;DR: 1,2-Benzenedicarboxylic acid, ester with 1,2,3-propanetriol (CAS 53568-81-3) is a chemical compound with molecular formula C11H12O6 and molecular weight 240.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,3-dihydroxypropoxycarbonyl)benzoic acid
Also Known As: EINECS 258-633-5, 2-(2,3-dihydroxypropoxycarbonyl)benzoate, 2-(2,3-dihydroxypropoxycarbonyl)benzoic Acid, 1,2-Benzenedicarboxylic acid, ester with 1,2,3-propanetriol, 1,2-Benzenedicarboxylic acid,ester with 1,2,3-propanetriol
| Molecular Formula | C11H12O6 |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | -0.1052 |
| Topological Polar Surface Area | 104.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.06339 |
| Heavy Atoms | 17 |
| Complexity | 414.1776 |
Chemical Identifiers
| CAS Number | 53568-81-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)C(=O)OCC(CO)O |
Product Overview
1,2-Benzenedicarboxylic acid, ester with 1,2,3-propanetriol (CAS 53568-81-3), with molecular formula C11H12O6 and molecular weight 240.06 g/mol. IUPAC: 2-(2,3-dihydroxypropoxycarbonyl)benzoic acid.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, ester with 1,2,3-propanetriol
Property Insights of 1,2-Benzenedicarboxylic acid, ester with 1,2,3-propanetriol
The XLogP value of -0.1052 indicates that 1,2-Benzenedicarboxylic acid, ester with 1,2,3-propanetriol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenedicarboxylic acid, ester with 1,2,3-propanetriol. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, ester with 1,2,3-propanetriol has 3 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 1,2-Benzenedicarboxylic acid, ester with 1,2,3-propanetriol?
The CAS number of 1,2-Benzenedicarboxylic acid, ester with 1,2,3-propanetriol is 53568-81-3.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, ester with 1,2,3-propanetriol?
The molecular formula of 1,2-Benzenedicarboxylic acid, ester with 1,2,3-propanetriol is C11H12O6.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, ester with 1,2,3-propanetriol?
The molecular weight of 1,2-Benzenedicarboxylic acid, ester with 1,2,3-propanetriol is 240.06 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, ester with 1,2,3-propanetriol?
You can request a quote for 1,2-Benzenedicarboxylic acid, ester with 1,2,3-propanetriol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenedicarboxylic acid, ester with 1,2,3-propanetriol?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, ester with 1,2,3-propanetriol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.