戊二酸二乙酯
TL;DR: 戊二酸二乙酯 (CAS 818-38-2) is a chemical compound with molecular formula C9H16O4 and molecular weight 188.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
戊二酸二乙酯
diethyl pentanedioate
Also Known As: DIETHYL GLUTARATE, Diethyl pentanedioate, Ethyl glutarate, Glutaric acid diethyl ester, Pentanedioic acid, diethyl ester
| Molecular Formula | C9H16O4 |
|---|---|
| Molecular Weight | 188.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 188.10486 |
| Heavy Atoms | 13 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 818-38-2 |
|---|---|
| SMILES | CCOC(=O)CCCC(=O)OCC |
| InChIKey | OUWSNHWQZPEFEX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
戊二酸二乙酯 (CAS 818-38-2), with molecular formula C9H16O4 and molecular weight 188.10 g/mol. IUPAC: diethyl pentanedioate.
Chemical Property Profile of 戊二酸二乙酯
Property Insights of 戊二酸二乙酯
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 戊二酸二乙酯. With a topological polar surface area (TPSA) of 52.6 Ų, 戊二酸二乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 戊二酸二乙酯 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 戊二酸二乙酯?
The CAS number of 戊二酸二乙酯 is 818-38-2.
What is the molecular formula of 戊二酸二乙酯?
The molecular formula of 戊二酸二乙酯 is C9H16O4.
What is the molecular weight of 戊二酸二乙酯?
The molecular weight of 戊二酸二乙酯 is 188.10 g/mol.
Where can I buy 戊二酸二乙酯?
You can request a quote for 戊二酸二乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 戊二酸二乙酯?
Yes, KEHONG BIO provides custom synthesis services for 戊二酸二乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.