2-(Benzyloxy)-2-(ethoxycarbonyl)-3-methylbutanoic acid
TL;DR: 2-(Benzyloxy)-2-(ethoxycarbonyl)-3-methylbutanoic acid (CAS 47033-36-3) is a chemical compound with molecular formula C15H20O5 and molecular weight 280.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxycarbonyl-3-methyl-2-phenylmethoxybutanoic acid
Also Known As: 2-(benzyloxy)-2-(ethoxycarbonyl)-3-methylbutanoic acid, 2-ethoxycarbonyl-3-methyl-2-phenylmethoxybutanoic acid, A1-20911, Propanedioic acid,2-(1-methylethyl)-2-(phenylmethoxy)-, 1-ethyl ester, ethyl 2-carbonochloridoyl-3-methyl-2-phenylmethoxybutanoate
| Molecular Formula | C15H20O5 |
|---|---|
| Molecular Weight | 280.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 280.13107 |
| Heavy Atoms | 20 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 47033-36-3 |
|---|---|
| SMILES | CCOC(=O)C(C(C)C)(C(=O)O)OCC1=CC=CC=C1 |
| InChIKey | IVIUCVPWPODFER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Benzyloxy)-2-(ethoxycarbonyl)-3-methylbutanoic acid (CAS 47033-36-3), with molecular formula C15H20O5 and molecular weight 280.13 g/mol. IUPAC: 2-ethoxycarbonyl-3-methyl-2-phenylmethoxybutanoic acid.
Chemical Property Profile of 2-(Benzyloxy)-2-(ethoxycarbonyl)-3-methylbutanoic acid
Property Insights of 2-(Benzyloxy)-2-(ethoxycarbonyl)-3-methylbutanoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzyloxy)-2-(ethoxycarbonyl)-3-methylbutanoic acid. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzyloxy)-2-(ethoxycarbonyl)-3-methylbutanoic acid. Following Lipinski's Rule of Five, 2-(Benzyloxy)-2-(ethoxycarbonyl)-3-methylbutanoic acid has 1 hydrogen bond donor(s) and 5 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-(Benzyloxy)-2-(ethoxycarbonyl)-3-methylbutanoic acid?
The CAS number of 2-(Benzyloxy)-2-(ethoxycarbonyl)-3-methylbutanoic acid is 47033-36-3.
What is the molecular formula of 2-(Benzyloxy)-2-(ethoxycarbonyl)-3-methylbutanoic acid?
The molecular formula of 2-(Benzyloxy)-2-(ethoxycarbonyl)-3-methylbutanoic acid is C15H20O5.
What is the molecular weight of 2-(Benzyloxy)-2-(ethoxycarbonyl)-3-methylbutanoic acid?
The molecular weight of 2-(Benzyloxy)-2-(ethoxycarbonyl)-3-methylbutanoic acid is 280.13 g/mol.
Where can I buy 2-(Benzyloxy)-2-(ethoxycarbonyl)-3-methylbutanoic acid?
You can request a quote for 2-(Benzyloxy)-2-(ethoxycarbonyl)-3-methylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzyloxy)-2-(ethoxycarbonyl)-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzyloxy)-2-(ethoxycarbonyl)-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.