丁二酸二乙酯
TL;DR: 丁二酸二乙酯 (CAS 123-25-1) is a chemical compound with molecular formula C8H14O4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁二酸二乙酯
diethyl butanedioate
Also Known As: DIETHYL SUCCINATE, Diethyl butanedioate, Ethyl succinate, Clorius, Succinic acid diethyl ester
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 135.0 |
| Melting Point | -21 °C |
| Boiling Point | 217.00 to 218.00 °C. @ 760.00 mm Hg |
| Density | 1.04 g/cm³ |
| Solubility | 19.1 mg/mL at 25 °C |
| Flash Point | 90 °C c.c. |
| Vapor Pressure | 0.04 [mmHg] |
| Refractive Index | 1.418-1.423 |
Chemical Identifiers
| CAS Number | 123-25-1 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)OCC |
| InChIKey | DKMROQRQHGEIOW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁二酸二乙酯 (CAS 123-25-1), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: diethyl butanedioate.
Chemical Property Profile of 丁二酸二乙酯
Property Insights of 丁二酸二乙酯
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁二酸二乙酯. With a topological polar surface area (TPSA) of 52.6 Ų, 丁二酸二乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁二酸二乙酯 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 丁二酸二乙酯?
The CAS number of 丁二酸二乙酯 is 123-25-1.
What is the molecular formula of 丁二酸二乙酯?
The molecular formula of 丁二酸二乙酯 is C8H14O4.
What is the molecular weight of 丁二酸二乙酯?
The molecular weight of 丁二酸二乙酯 is 174.09 g/mol.
Where can I buy 丁二酸二乙酯?
You can request a quote for 丁二酸二乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁二酸二乙酯?
Yes, KEHONG BIO provides custom synthesis services for 丁二酸二乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.