4-(Bromoacetyl)-4-(ethoxycarbonyl)-7-methyloctanoic acid
TL;DR: 4-(Bromoacetyl)-4-(ethoxycarbonyl)-7-methyloctanoic acid (CAS 369607-35-2) is a chemical compound with molecular formula C14H23BrO5 and molecular weight 350.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-bromoacetyl)-4-ethoxycarbonyl-7-methyloctanoic acid
Also Known As: 4-(2-bromoacetyl)-4-ethoxycarbonyl-7-methyl-octanoic Acid, 4-(2-bromoacetyl)-4-ethoxycarbonyl-7-methyloctanoic acid, 4-(bromoacetyl)-4-(ethoxycarbonyl)-7-methyloctanoic acid, 4-(2-BROMOACETYL)-4-(ETHOXYCARBONYL)-7-METHYLOCTANOIC ACID
| Molecular Formula | C14H23BrO5 |
|---|---|
| Molecular Weight | 350.07 g/mol |
| LogP | 2.8009 |
| Topological Polar Surface Area | 80.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 350.07288 |
| Heavy Atoms | 20 |
| Complexity | 353.47342 |
Chemical Identifiers
| CAS Number | 369607-35-2 |
|---|---|
| SMILES | CCOC(=O)C(CCC(C)C)(CCC(=O)O)C(=O)CBr |
Product Overview
4-(Bromoacetyl)-4-(ethoxycarbonyl)-7-methyloctanoic acid (CAS 369607-35-2), with molecular formula C14H23BrO5 and molecular weight 350.07 g/mol. IUPAC: 4-(2-bromoacetyl)-4-ethoxycarbonyl-7-methyloctanoic acid.
Chemical Property Profile of 4-(Bromoacetyl)-4-(ethoxycarbonyl)-7-methyloctanoic acid
Property Insights of 4-(Bromoacetyl)-4-(ethoxycarbonyl)-7-methyloctanoic acid
The XLogP value of 2.8009 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Bromoacetyl)-4-(ethoxycarbonyl)-7-methyloctanoic acid. The TPSA of 80.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Bromoacetyl)-4-(ethoxycarbonyl)-7-methyloctanoic acid. Following Lipinski's Rule of Five, 4-(Bromoacetyl)-4-(ethoxycarbonyl)-7-methyloctanoic 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 4-(Bromoacetyl)-4-(ethoxycarbonyl)-7-methyloctanoic acid?
The CAS number of 4-(Bromoacetyl)-4-(ethoxycarbonyl)-7-methyloctanoic acid is 369607-35-2.
What is the molecular formula of 4-(Bromoacetyl)-4-(ethoxycarbonyl)-7-methyloctanoic acid?
The molecular formula of 4-(Bromoacetyl)-4-(ethoxycarbonyl)-7-methyloctanoic acid is C14H23BrO5.
What is the molecular weight of 4-(Bromoacetyl)-4-(ethoxycarbonyl)-7-methyloctanoic acid?
The molecular weight of 4-(Bromoacetyl)-4-(ethoxycarbonyl)-7-methyloctanoic acid is 350.07 g/mol.
Where can I buy 4-(Bromoacetyl)-4-(ethoxycarbonyl)-7-methyloctanoic acid?
You can request a quote for 4-(Bromoacetyl)-4-(ethoxycarbonyl)-7-methyloctanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Bromoacetyl)-4-(ethoxycarbonyl)-7-methyloctanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Bromoacetyl)-4-(ethoxycarbonyl)-7-methyloctanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.