1,2-Benzenedicarboxylic acid, mono(2-carboxyhexyl) ester
TL;DR: 1,2-Benzenedicarboxylic acid, mono(2-carboxyhexyl) ester (CAS 82975-91-5) is a chemical compound with molecular formula C15H18O6 and molecular weight 294.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-carboxyhexoxycarbonyl)benzoic acid
Also Known As: 2-(2-carboxyhexoxycarbonyl)benzoic acid, 2-[(2-carboxybenzoyl)oxymethyl]hexanoic Acid, 1,2-Benzenedicarboxylic acid, mono(2-carboxyhexyl) ester, 2-{[(2-carboxyhexyl)oxy]carbonyl}benzoic acid, 1,2-Benzenedicarboxylicacid, mono(2-carboxyhexyl) ester (9CI)
| Molecular Formula | C15H18O6 |
|---|---|
| Molecular Weight | 294.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 294.11035 |
| Heavy Atoms | 21 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 82975-91-5 |
|---|---|
| SMILES | CCCCC(COC(=O)C1=CC=CC=C1C(=O)O)C(=O)O |
| InChIKey | FODZFSZQPSMJMC-UHFFFAOYSA-N |
Product Overview
1,2-Benzenedicarboxylic acid, mono(2-carboxyhexyl) ester (CAS 82975-91-5), with molecular formula C15H18O6 and molecular weight 294.11 g/mol. IUPAC: 2-(2-carboxyhexoxycarbonyl)benzoic acid.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, mono(2-carboxyhexyl) ester
Property Insights of 1,2-Benzenedicarboxylic acid, mono(2-carboxyhexyl) ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzenedicarboxylic acid, mono(2-carboxyhexyl) ester. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenedicarboxylic acid, mono(2-carboxyhexyl) ester. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, mono(2-carboxyhexyl) ester has 2 hydrogen bond donor(s) and 6 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, mono(2-carboxyhexyl) ester?
The CAS number of 1,2-Benzenedicarboxylic acid, mono(2-carboxyhexyl) ester is 82975-91-5.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, mono(2-carboxyhexyl) ester?
The molecular formula of 1,2-Benzenedicarboxylic acid, mono(2-carboxyhexyl) ester is C15H18O6.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, mono(2-carboxyhexyl) ester?
The molecular weight of 1,2-Benzenedicarboxylic acid, mono(2-carboxyhexyl) ester is 294.11 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, mono(2-carboxyhexyl) ester?
You can request a quote for 1,2-Benzenedicarboxylic acid, mono(2-carboxyhexyl) ester 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, mono(2-carboxyhexyl) ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, mono(2-carboxyhexyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.