6-Bromo-4-(ethoxycarbonyl)-4-ethyl-5-oxohexanoic acid
TL;DR: 6-Bromo-4-(ethoxycarbonyl)-4-ethyl-5-oxohexanoic acid (CAS 369606-91-7) is a chemical compound with molecular formula C11H17BrO5 and molecular weight 308.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-4-ethoxycarbonyl-4-ethyl-5-oxohexanoic acid
Also Known As: 6-bromo-4-(ethoxycarbonyl)-4-ethyl-5-oxohexanoic acid, 6-bromo-4-ethoxycarbonyl-4-ethyl-5-oxo-hexanoic Acid, 6-bromo-4-ethoxycarbonyl-4-ethyl-5-oxohexanoic acid
| Molecular Formula | C11H17BrO5 |
|---|---|
| Molecular Weight | 308.03 g/mol |
| LogP | 1.7747 |
| Topological Polar Surface Area | 80.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 308.02594 |
| Heavy Atoms | 17 |
| Complexity | 302.2369 |
Chemical Identifiers
| CAS Number | 369606-91-7 |
|---|---|
| SMILES | CCC(CCC(=O)O)(C(=O)CBr)C(=O)OCC |
Product Overview
6-Bromo-4-(ethoxycarbonyl)-4-ethyl-5-oxohexanoic acid (CAS 369606-91-7), with molecular formula C11H17BrO5 and molecular weight 308.03 g/mol. IUPAC: 6-bromo-4-ethoxycarbonyl-4-ethyl-5-oxohexanoic acid.
Chemical Property Profile of 6-Bromo-4-(ethoxycarbonyl)-4-ethyl-5-oxohexanoic acid
Property Insights of 6-Bromo-4-(ethoxycarbonyl)-4-ethyl-5-oxohexanoic acid
The XLogP value of 1.7747 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Bromo-4-(ethoxycarbonyl)-4-ethyl-5-oxohexanoic acid. The TPSA of 80.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Bromo-4-(ethoxycarbonyl)-4-ethyl-5-oxohexanoic acid. Following Lipinski's Rule of Five, 6-Bromo-4-(ethoxycarbonyl)-4-ethyl-5-oxohexanoic acid has 1 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 6-Bromo-4-(ethoxycarbonyl)-4-ethyl-5-oxohexanoic acid?
The CAS number of 6-Bromo-4-(ethoxycarbonyl)-4-ethyl-5-oxohexanoic acid is 369606-91-7.
What is the molecular formula of 6-Bromo-4-(ethoxycarbonyl)-4-ethyl-5-oxohexanoic acid?
The molecular formula of 6-Bromo-4-(ethoxycarbonyl)-4-ethyl-5-oxohexanoic acid is C11H17BrO5.
What is the molecular weight of 6-Bromo-4-(ethoxycarbonyl)-4-ethyl-5-oxohexanoic acid?
The molecular weight of 6-Bromo-4-(ethoxycarbonyl)-4-ethyl-5-oxohexanoic acid is 308.03 g/mol.
Where can I buy 6-Bromo-4-(ethoxycarbonyl)-4-ethyl-5-oxohexanoic acid?
You can request a quote for 6-Bromo-4-(ethoxycarbonyl)-4-ethyl-5-oxohexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromo-4-(ethoxycarbonyl)-4-ethyl-5-oxohexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-4-(ethoxycarbonyl)-4-ethyl-5-oxohexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.