Ethyl methyl adipate
TL;DR: Ethyl methyl adipate (CAS 18891-13-9) 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.
6-O-ethyl 1-O-methyl hexanedioate
Also Known As: Ethyl methyl adipate, 1-Ethyl 6-methyl hexanedioate, Methyl ethyl adipate, Hexanedioic acid 1-ethyl 6-methyl ester, Adipic acid, ethyl methyl ester
| Molecular Formula | C9H16O4 |
|---|---|
| Molecular Weight | 188.10 g/mol |
| LogP | 1.4 |
| 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 | 165.0 |
Chemical Identifiers
| CAS Number | 18891-13-9 |
|---|---|
| SMILES | CCOC(=O)CCCCC(=O)OC |
| InChIKey | CWOVOJUKEQPFBA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl methyl adipate (CAS 18891-13-9), with molecular formula C9H16O4 and molecular weight 188.10 g/mol. IUPAC: 6-O-ethyl 1-O-methyl hexanedioate.
Chemical Property Profile of Ethyl methyl adipate
Property Insights of Ethyl methyl adipate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl methyl adipate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl methyl adipate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl methyl adipate 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 Ethyl methyl adipate?
The CAS number of Ethyl methyl adipate is 18891-13-9.
What is the molecular formula of Ethyl methyl adipate?
The molecular formula of Ethyl methyl adipate is C9H16O4.
What is the molecular weight of Ethyl methyl adipate?
The molecular weight of Ethyl methyl adipate is 188.10 g/mol.
Where can I buy Ethyl methyl adipate?
You can request a quote for Ethyl methyl adipate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl methyl adipate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl methyl adipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.