Mono(3-carboxy-2-ethylpropyl) Phthalate
TL;DR: Mono(3-carboxy-2-ethylpropyl) Phthalate (CAS 40322-01-8) is a chemical compound with molecular formula C14H15O6- and molecular weight 279.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(carboxymethyl)butoxycarbonyl]benzoate
Also Known As: Mono(3-carboxy-2-ethylpropyl) Phthalate, Mono(2-(carboxymethyl)butyl) 1,2-benzenedicarboxylate, 2-(2-ethyl-4-hydroxy-4-oxobutoxy)carbonylbenzoate, 1,2-Benzenedicarboxylic acid, mono(2-(carboxymethyl)butyl) ester
| Molecular Formula | C14H15O6- |
|---|---|
| Molecular Weight | 279.09 g/mol |
| LogP | 0.7078 |
| Topological Polar Surface Area | 103.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 279.08685 |
| Heavy Atoms | 20 |
| Complexity | 508.14053 |
Chemical Identifiers
| CAS Number | 40322-01-8 |
|---|---|
| SMILES | CCC(CC(=O)O)COC(=O)C1=CC=CC=C1C(=O)[O-] |
Product Overview
Mono(3-carboxy-2-ethylpropyl) Phthalate (CAS 40322-01-8), with molecular formula C14H15O6- and molecular weight 279.09 g/mol. IUPAC: 2-[2-(carboxymethyl)butoxycarbonyl]benzoate.
Chemical Property Profile of Mono(3-carboxy-2-ethylpropyl) Phthalate
Property Insights of Mono(3-carboxy-2-ethylpropyl) Phthalate
The XLogP value of 0.7078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mono(3-carboxy-2-ethylpropyl) Phthalate. The TPSA of 103.73 Ų falls within the moderate polarity range, balancing permeability and solubility for Mono(3-carboxy-2-ethylpropyl) Phthalate. Following Lipinski's Rule of Five, Mono(3-carboxy-2-ethylpropyl) Phthalate has 1 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 Mono(3-carboxy-2-ethylpropyl) Phthalate?
The CAS number of Mono(3-carboxy-2-ethylpropyl) Phthalate is 40322-01-8.
What is the molecular formula of Mono(3-carboxy-2-ethylpropyl) Phthalate?
The molecular formula of Mono(3-carboxy-2-ethylpropyl) Phthalate is C14H15O6-.
What is the molecular weight of Mono(3-carboxy-2-ethylpropyl) Phthalate?
The molecular weight of Mono(3-carboxy-2-ethylpropyl) Phthalate is 279.09 g/mol.
Where can I buy Mono(3-carboxy-2-ethylpropyl) Phthalate?
You can request a quote for Mono(3-carboxy-2-ethylpropyl) Phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mono(3-carboxy-2-ethylpropyl) Phthalate?
Yes, KEHONG BIO provides custom synthesis services for Mono(3-carboxy-2-ethylpropyl) Phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.