1,2-Benzenedicarboxylic acid, 1-ethyl-2-phenylethyl ester
TL;DR: 1,2-Benzenedicarboxylic acid, 1-ethyl-2-phenylethyl ester (CAS 94093-91-1) is a chemical compound with molecular formula C18H18O4 and molecular weight 298.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-phenylbutan-2-yloxycarbonyl)benzoic acid
Also Known As: Phthalic acid, benzylpropyl ester, 1, 1-ETHYL-2-PHENYLETHYL ESTER, 2-(1-phenylbutan-2-yloxycarbonyl)benzoic acid, 1,2-BENZENEDICARBOXYLIC ACID, 1-ETHYL-2-PHENYLETHYL ESTER
| Molecular Formula | C18H18O4 |
|---|---|
| Molecular Weight | 298.12 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 298.1205 |
| Heavy Atoms | 22 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 94093-91-1 |
|---|---|
| SMILES | CCC(CC1=CC=CC=C1)OC(=O)C2=CC=CC=C2C(=O)O |
| InChIKey | HHLZUHINSQUPHD-UHFFFAOYSA-N |
Product Overview
1,2-Benzenedicarboxylic acid, 1-ethyl-2-phenylethyl ester (CAS 94093-91-1), with molecular formula C18H18O4 and molecular weight 298.12 g/mol. IUPAC: 2-(1-phenylbutan-2-yloxycarbonyl)benzoic acid.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, 1-ethyl-2-phenylethyl ester
Property Insights of 1,2-Benzenedicarboxylic acid, 1-ethyl-2-phenylethyl ester
The XLogP value of 4.2 indicates that 1,2-Benzenedicarboxylic acid, 1-ethyl-2-phenylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenedicarboxylic acid, 1-ethyl-2-phenylethyl ester. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, 1-ethyl-2-phenylethyl ester has 1 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 1,2-Benzenedicarboxylic acid, 1-ethyl-2-phenylethyl ester?
The CAS number of 1,2-Benzenedicarboxylic acid, 1-ethyl-2-phenylethyl ester is 94093-91-1.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, 1-ethyl-2-phenylethyl ester?
The molecular formula of 1,2-Benzenedicarboxylic acid, 1-ethyl-2-phenylethyl ester is C18H18O4.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, 1-ethyl-2-phenylethyl ester?
The molecular weight of 1,2-Benzenedicarboxylic acid, 1-ethyl-2-phenylethyl ester is 298.12 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, 1-ethyl-2-phenylethyl ester?
You can request a quote for 1,2-Benzenedicarboxylic acid, 1-ethyl-2-phenylethyl 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, 1-ethyl-2-phenylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, 1-ethyl-2-phenylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.