Dimethyl isophthalate
TL;DR: Dimethyl isophthalate (CAS 1459-93-4) 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.
dimethyl benzene-1,3-dicarboxylate
Also Known As: DIMETHYL ISOPHTHALATE, Dimethyl m-phthalate, Methyl isophthalate, Dimethylisophthalate, Morflex 1129
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.0579 |
| Heavy Atoms | 14 |
| Complexity | 202.0 |
| Melting Point | 67.5 °C |
| Boiling Point | 282 °C |
| Density | 1.194 g/cu cm at 20 °C |
| Solubility | Slightly soluble in alcohol. |
| Flash Point | 137.8 °C (138 °C) (Closed cup) |
| Vapor Pressure | 0.00963 [mmHg] |
| Refractive Index | 1.5168 at 20 °C |
Chemical Identifiers
| CAS Number | 1459-93-4 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC=C1)C(=O)OC |
| InChIKey | VNGOYPQMJFJDLV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl isophthalate (CAS 1459-93-4), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: dimethyl benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl isophthalate
Property Insights of Dimethyl isophthalate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl isophthalate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl isophthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl isophthalate has 0 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 Dimethyl isophthalate?
The CAS number of Dimethyl isophthalate is 1459-93-4.
What is the molecular formula of Dimethyl isophthalate?
The molecular formula of Dimethyl isophthalate is C10H10O4.
What is the molecular weight of Dimethyl isophthalate?
The molecular weight of Dimethyl isophthalate is 194.06 g/mol.
Where can I buy Dimethyl isophthalate?
You can request a quote for Dimethyl isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.