Monoethyl terephthalate
TL;DR: Monoethyl terephthalate (CAS 91454-65-8) 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.
4-ethoxycarbonylbenzoic acid
Also Known As: 4-(ethoxycarbonyl)benzoic acid, 4-ethoxycarbonylbenzoic acid, monoethyl terephthalate, p-ethoxycarbonylbenzoic acid, terephthalic acid monoethyl ester
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 2.4 |
| 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 | 216.0 |
Chemical Identifiers
| CAS Number | 91454-65-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)C(=O)O |
| InChIKey | ADFVYWCDAKWKPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Monoethyl terephthalate (CAS 91454-65-8), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: 4-ethoxycarbonylbenzoic acid.
Chemical Property Profile of Monoethyl terephthalate
Property Insights of Monoethyl terephthalate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Monoethyl terephthalate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Monoethyl terephthalate. Following Lipinski's Rule of Five, Monoethyl terephthalate 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 terephthalate?
The CAS number of Monoethyl terephthalate is 91454-65-8.
What is the molecular formula of Monoethyl terephthalate?
The molecular formula of Monoethyl terephthalate is C10H10O4.
What is the molecular weight of Monoethyl terephthalate?
The molecular weight of Monoethyl terephthalate is 194.06 g/mol.
Where can I buy Monoethyl terephthalate?
You can request a quote for Monoethyl terephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Monoethyl terephthalate?
Yes, KEHONG BIO provides custom synthesis services for Monoethyl terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.