1,2-Benzenedicarboxylic acid, cyclohexyl ester
TL;DR: 1,2-Benzenedicarboxylic acid, cyclohexyl ester (CAS 1335-63-3) is a chemical compound with molecular formula C14H18O5 and molecular weight 266.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexanol;phthalic acid
Also Known As: Cyclohexyl phthalate, cyclohexanol; phthalic acid, 1,2-Benzenedicarboxylic acid, cyclohexyl ester, benzene-1,2-dicarboxylic acid- cyclohexanol(1:1), RefChem:71658
| Molecular Formula | C14H18O5 |
|---|---|
| Molecular Weight | 266.12 g/mol |
| LogP | 2.39 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.11542 |
| Heavy Atoms | 19 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 1335-63-3 |
|---|---|
| SMILES | C1CCC(CC1)O.C1=CC=C(C(=C1)C(=O)O)C(=O)O |
| InChIKey | QQLNNDNTWFIZAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Benzenedicarboxylic acid, cyclohexyl ester (CAS 1335-63-3), with molecular formula C14H18O5 and molecular weight 266.12 g/mol. IUPAC: cyclohexanol;phthalic acid.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, cyclohexyl ester
Property Insights of 1,2-Benzenedicarboxylic acid, cyclohexyl ester
The XLogP value of 2.39 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzenedicarboxylic acid, cyclohexyl ester. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenedicarboxylic acid, cyclohexyl ester. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, cyclohexyl ester 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, cyclohexyl ester?
The CAS number of 1,2-Benzenedicarboxylic acid, cyclohexyl ester is 1335-63-3.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, cyclohexyl ester?
The molecular formula of 1,2-Benzenedicarboxylic acid, cyclohexyl ester is C14H18O5.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, cyclohexyl ester?
The molecular weight of 1,2-Benzenedicarboxylic acid, cyclohexyl ester is 266.12 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, cyclohexyl ester?
You can request a quote for 1,2-Benzenedicarboxylic acid, cyclohexyl 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, cyclohexyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, cyclohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.