Monomethyl terephthalate
TL;DR: Monomethyl terephthalate (CAS 1679-64-7) is a chemical compound with molecular formula C9H8O4 and molecular weight 180.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxycarbonylbenzoic acid
Also Known As: Mono-methyl terephthalate, 4-(Methoxycarbonyl)benzoic acid, Monomethyl terephthalate, Methyl terephthalate, 4-Methoxycarbonylbenzoic acid
| Molecular Formula | C9H8O4 |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.04225 |
| Heavy Atoms | 13 |
| Complexity | 204.0 |
| Melting Point | 239 °C |
| Solubility | SLIGHTLY SOL IN WATER; SOL IN ALCOHOL, ETHER, BENZENE |
| Vapor Pressure | 0.000184 [mmHg] |
Chemical Identifiers
| CAS Number | 1679-64-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C(=O)O |
| InChIKey | REIDAMBAPLIATC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Monomethyl terephthalate (CAS 1679-64-7), with molecular formula C9H8O4 and molecular weight 180.04 g/mol. IUPAC: 4-methoxycarbonylbenzoic acid.
Chemical Property Profile of Monomethyl terephthalate
Property Insights of Monomethyl terephthalate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Monomethyl terephthalate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Monomethyl terephthalate. Following Lipinski's Rule of Five, Monomethyl 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 Monomethyl terephthalate?
The CAS number of Monomethyl terephthalate is 1679-64-7.
What is the molecular formula of Monomethyl terephthalate?
The molecular formula of Monomethyl terephthalate is C9H8O4.
What is the molecular weight of Monomethyl terephthalate?
The molecular weight of Monomethyl terephthalate is 180.04 g/mol.
Where can I buy Monomethyl terephthalate?
You can request a quote for Monomethyl terephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Monomethyl terephthalate?
Yes, KEHONG BIO provides custom synthesis services for Monomethyl terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.