邻苯二甲酸二甲酯
TL;DR: 邻苯二甲酸二甲酯 (CAS 131-11-3) 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.
邻苯二甲酸二甲酯
dimethyl benzene-1,2-dicarboxylate
Also Known As: Dimethyl phthalate, Avolin, Mipax, Solvarone, Solvanom
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 1.6 |
| 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 | 200.0 |
| Melting Point | 0.0 °C |
| Boiling Point | 283.7 °C at 760 mmHg |
| Density | 1.1905 at 20.0 °C |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | 146.1 °C |
| Vapor Pressure | 1 mmHg at 100.3 °C ; 5 mmHg at 131.8 °C; 10 mmHg at 147.6 °C |
| Refractive Index | 1.5168 at 20 °C |
Chemical Identifiers
| CAS Number | 131-11-3 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1C(=O)OC |
| InChIKey | NIQCNGHVCWTJSM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
邻苯二甲酸二甲酯 (CAS 131-11-3), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: dimethyl benzene-1,2-dicarboxylate.
Chemical Property Profile of 邻苯二甲酸二甲酯
Property Insights of 邻苯二甲酸二甲酯
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 邻苯二甲酸二甲酯. With a topological polar surface area (TPSA) of 52.6 Ų, 邻苯二甲酸二甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 邻苯二甲酸二甲酯 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 邻苯二甲酸二甲酯?
The CAS number of 邻苯二甲酸二甲酯 is 131-11-3.
What is the molecular formula of 邻苯二甲酸二甲酯?
The molecular formula of 邻苯二甲酸二甲酯 is C10H10O4.
What is the molecular weight of 邻苯二甲酸二甲酯?
The molecular weight of 邻苯二甲酸二甲酯 is 194.06 g/mol.
Where can I buy 邻苯二甲酸二甲酯?
You can request a quote for 邻苯二甲酸二甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻苯二甲酸二甲酯?
Yes, KEHONG BIO provides custom synthesis services for 邻苯二甲酸二甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.