己二酸二乙酯
TL;DR: 己二酸二乙酯 (CAS 141-28-6) is a chemical compound with molecular formula C10H18O4 and molecular weight 202.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
己二酸二乙酯
diethyl hexanedioate
Also Known As: DIETHYL ADIPATE, Diethyl hexanedioate, Ethyl adipate, 1,6-Diethyl hexanedioate, Adipic acid, diethyl ester
| Molecular Formula | C10H18O4 |
|---|---|
| Molecular Weight | 202.12 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 202.12051 |
| Heavy Atoms | 14 |
| Complexity | 157.0 |
| Melting Point | -19.8 °C |
| Boiling Point | 245 °C |
| Density | 1.0076 @ 20 °C |
| Solubility | Soluble in ethanol and ethyl ether |
| Vapor Pressure | 0.05 [mmHg] |
| Refractive Index | 1.426 @ 25 °C |
Chemical Identifiers
| CAS Number | 141-28-6 |
|---|---|
| SMILES | CCOC(=O)CCCCC(=O)OCC |
| InChIKey | VIZORQUEIQEFRT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
己二酸二乙酯 (CAS 141-28-6), with molecular formula C10H18O4 and molecular weight 202.12 g/mol. IUPAC: diethyl hexanedioate.
Chemical Property Profile of 己二酸二乙酯
Property Insights of 己二酸二乙酯
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 己二酸二乙酯. With a topological polar surface area (TPSA) of 52.6 Ų, 己二酸二乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 己二酸二乙酯 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 己二酸二乙酯?
The CAS number of 己二酸二乙酯 is 141-28-6.
What is the molecular formula of 己二酸二乙酯?
The molecular formula of 己二酸二乙酯 is C10H18O4.
What is the molecular weight of 己二酸二乙酯?
The molecular weight of 己二酸二乙酯 is 202.12 g/mol.
Where can I buy 己二酸二乙酯?
You can request a quote for 己二酸二乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 己二酸二乙酯?
Yes, KEHONG BIO provides custom synthesis services for 己二酸二乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.