Monoethyl phthalate
TL;DR: Monoethyl phthalate (CAS 2306-33-4) is a chemical compound with molecular formula C10H10O4 and molecular weight 194.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxycarbonylbenzoic acid
Also Known As: Monoethyl phthalate, 2-(Ethoxycarbonyl)benzoic acid, Ethyl 2-Carboxybenzoate, monoethylphthalate, Phthalic acid, monoethyl ester
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.0579 |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 2306-33-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | YWWHKOHZGJFMIE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Monoethyl phthalate (CAS 2306-33-4), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: 2-ethoxycarbonylbenzoic acid.
Chemical Property Profile of Monoethyl phthalate
Property Insights of Monoethyl phthalate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Monoethyl phthalate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Monoethyl phthalate. Following Lipinski's Rule of Five, Monoethyl phthalate 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 Monoethyl phthalate?
The CAS number of Monoethyl phthalate is 2306-33-4.
What is the molecular formula of Monoethyl phthalate?
The molecular formula of Monoethyl phthalate is C10H10O4.
What is the molecular weight of Monoethyl phthalate?
The molecular weight of Monoethyl phthalate is 194.06 g/mol.
Where can I buy Monoethyl phthalate?
You can request a quote for Monoethyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Monoethyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for Monoethyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.