丙二酸二甲酯
TL;DR: 丙二酸二甲酯 (CAS 108-59-8) is a chemical compound with molecular formula C5H8O4 and molecular weight 132.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙二酸二甲酯
dimethyl propanedioate
Also Known As: Dimethyl malonate, Methyl malonate, Dimethyl propanedioate, Dimethylmalonate, Malonic Acid Dimethyl Ester
| Molecular Formula | C5H8O4 |
|---|---|
| Molecular Weight | 132.04 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 132.04225 |
| Heavy Atoms | 9 |
| Complexity | 104.0 |
| Vapor Pressure | 14.7 [mmHg] |
Chemical Identifiers
| CAS Number | 108-59-8 |
|---|---|
| SMILES | COC(=O)CC(=O)OC |
| InChIKey | BEPAFCGSDWSTEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙二酸二甲酯 (CAS 108-59-8), with molecular formula C5H8O4 and molecular weight 132.04 g/mol. IUPAC: dimethyl propanedioate.
Chemical Property Profile of 丙二酸二甲酯
Property Insights of 丙二酸二甲酯
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丙二酸二甲酯. With a topological polar surface area (TPSA) of 52.6 Ų, 丙二酸二甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙二酸二甲酯 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 丙二酸二甲酯?
The CAS number of 丙二酸二甲酯 is 108-59-8.
What is the molecular formula of 丙二酸二甲酯?
The molecular formula of 丙二酸二甲酯 is C5H8O4.
What is the molecular weight of 丙二酸二甲酯?
The molecular weight of 丙二酸二甲酯 is 132.04 g/mol.
Where can I buy 丙二酸二甲酯?
You can request a quote for 丙二酸二甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙二酸二甲酯?
Yes, KEHONG BIO provides custom synthesis services for 丙二酸二甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.