Hexanedioic acid, 3-oxo-, 1-ethyl 6-methyl ester
TL;DR: Hexanedioic acid, 3-oxo-, 1-ethyl 6-methyl ester (CAS 14000-78-3) is a chemical compound with molecular formula C9H14O5 and molecular weight 202.08412 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-O-ethyl 6-O-methyl 3-oxohexanedioate
Also Known As: 1-Ethyl 6-methyl 3-oxohexanedioate, 3-Oxo-hexanedioic acid 1-ethyl ester 6-methyl ester, ethyl methyl beta-oxoadipate, 1-ethyl6-methyl3-oxohexanedioate, 1-O-ethyl 6-O-methyl 3-oxohexanedioate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H14O5 |
| Molecular Weight | 202.08412 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 202.08412 Da |
| Heavy Atoms | 14 |
| Complexity | 221.0 |
| SMILES | CCOC(=O)CC(=O)CCC(=O)OC |
| InChIKey | ASPNMRBMNBSGGE-UHFFFAOYSA-N |
Chemical Property Profile of Hexanedioic acid, 3-oxo-, 1-ethyl 6-methyl ester
Property Insights of Hexanedioic acid, 3-oxo-, 1-ethyl 6-methyl ester
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanedioic acid, 3-oxo-, 1-ethyl 6-methyl ester. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexanedioic acid, 3-oxo-, 1-ethyl 6-methyl ester. Following Lipinski's Rule of Five, Hexanedioic acid, 3-oxo-, 1-ethyl 6-methyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Hexanedioic acid, 3-oxo-, 1-ethyl 6-methyl ester?
The CAS number of Hexanedioic acid, 3-oxo-, 1-ethyl 6-methyl ester is 14000-78-3.
What is the molecular formula of Hexanedioic acid, 3-oxo-, 1-ethyl 6-methyl ester?
The molecular formula of Hexanedioic acid, 3-oxo-, 1-ethyl 6-methyl ester is C9H14O5.
What is the molecular weight of Hexanedioic acid, 3-oxo-, 1-ethyl 6-methyl ester?
The molecular weight of Hexanedioic acid, 3-oxo-, 1-ethyl 6-methyl ester is 202.08412 g/mol.
Where can I buy Hexanedioic acid, 3-oxo-, 1-ethyl 6-methyl ester?
You can request a quote for Hexanedioic acid, 3-oxo-, 1-ethyl 6-methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexanedioic acid, 3-oxo-, 1-ethyl 6-methyl ester?
Yes, CoreyChem provides custom synthesis services for Hexanedioic acid, 3-oxo-, 1-ethyl 6-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.