乙基丙二酸
TL;DR: 乙基丙二酸 (CAS 601-75-2) 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.
乙基丙二酸
2-ethylpropanedioic acid
Also Known As: ETHYLMALONIC ACID, 2-Ethylmalonic acid, 2-ethylpropanedioic acid, Propanedioic acid, ethyl-, ethylmalonate
| Molecular Formula | C5H8O4 |
|---|---|
| Molecular Weight | 132.04 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 132.04225 |
| Heavy Atoms | 9 |
| Complexity | 115.0 |
| Melting Point | 112 - 114 °C |
| Solubility | 712.0 mg/mL |
Chemical Identifiers
| CAS Number | 601-75-2 |
|---|---|
| SMILES | CCC(C(=O)O)C(=O)O |
| InChIKey | UKFXDFUAPNAMPJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙基丙二酸 (CAS 601-75-2), with molecular formula C5H8O4 and molecular weight 132.04 g/mol. IUPAC: 2-ethylpropanedioic acid.
Chemical Property Profile of 乙基丙二酸
Property Insights of 乙基丙二酸
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙基丙二酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 乙基丙二酸. Following Lipinski's Rule of Five, 乙基丙二酸 has 2 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 乙基丙二酸?
The CAS number of 乙基丙二酸 is 601-75-2.
What is the molecular formula of 乙基丙二酸?
The molecular formula of 乙基丙二酸 is C5H8O4.
What is the molecular weight of 乙基丙二酸?
The molecular weight of 乙基丙二酸 is 132.04 g/mol.
Where can I buy 乙基丙二酸?
You can request a quote for 乙基丙二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙基丙二酸?
Yes, KEHONG BIO provides custom synthesis services for 乙基丙二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.