2-Acetyl-3-oxohexanedioic acid, 1-ethyl ester 6-methyl ester
TL;DR: 2-Acetyl-3-oxohexanedioic acid, 1-ethyl ester 6-methyl ester (CAS 412019-08-0) is a chemical compound with molecular formula C11H16O6 and molecular weight 244.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-ethyl 6-O-methyl 2-acetyl-3-oxohexanedioate
Also Known As: 1-Ethyl 6-methyl 2-acetyl-3-oxohexanedioate, 1-Ethyl 6-methyl 2-acetyl-3-oxohexanedioate #, 1-O-ethyl 6-O-methyl 2-acetyl-3-oxohexanedioate, 2-acetyl-3-oxo-adipic acid 1-ethyl-6-methyldiester, 2-Acetyl-3-oxohexanedioic acid, 1-ethyl ester 6-methyl ester
| Molecular Formula | C11H16O6 |
|---|---|
| Molecular Weight | 244.09 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 244.09468 |
| Heavy Atoms | 17 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 412019-08-0 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C)C(=O)CCC(=O)OC |
| InChIKey | QKHBHDRLBZSSNS-UHFFFAOYSA-N |
Product Overview
2-Acetyl-3-oxohexanedioic acid, 1-ethyl ester 6-methyl ester (CAS 412019-08-0), with molecular formula C11H16O6 and molecular weight 244.09 g/mol. IUPAC: 1-O-ethyl 6-O-methyl 2-acetyl-3-oxohexanedioate.
Chemical Property Profile of 2-Acetyl-3-oxohexanedioic acid, 1-ethyl ester 6-methyl ester
Property Insights of 2-Acetyl-3-oxohexanedioic acid, 1-ethyl ester 6-methyl ester
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetyl-3-oxohexanedioic acid, 1-ethyl ester 6-methyl ester. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetyl-3-oxohexanedioic acid, 1-ethyl ester 6-methyl ester. Following Lipinski's Rule of Five, 2-Acetyl-3-oxohexanedioic acid, 1-ethyl ester 6-methyl ester has 0 hydrogen bond donor(s) and 6 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 2-Acetyl-3-oxohexanedioic acid, 1-ethyl ester 6-methyl ester?
The CAS number of 2-Acetyl-3-oxohexanedioic acid, 1-ethyl ester 6-methyl ester is 412019-08-0.
What is the molecular formula of 2-Acetyl-3-oxohexanedioic acid, 1-ethyl ester 6-methyl ester?
The molecular formula of 2-Acetyl-3-oxohexanedioic acid, 1-ethyl ester 6-methyl ester is C11H16O6.
What is the molecular weight of 2-Acetyl-3-oxohexanedioic acid, 1-ethyl ester 6-methyl ester?
The molecular weight of 2-Acetyl-3-oxohexanedioic acid, 1-ethyl ester 6-methyl ester is 244.09 g/mol.
Where can I buy 2-Acetyl-3-oxohexanedioic acid, 1-ethyl ester 6-methyl ester?
You can request a quote for 2-Acetyl-3-oxohexanedioic acid, 1-ethyl ester 6-methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-3-oxohexanedioic acid, 1-ethyl ester 6-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-3-oxohexanedioic acid, 1-ethyl ester 6-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.