(R)-3-Benzyl-4-methoxy-4-oxobutanoic acid
TL;DR: (R)-3-Benzyl-4-methoxy-4-oxobutanoic acid (CAS 119807-84-0) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R)-3-benzyl-4-methoxy-4-oxobutanoic acid
Also Known As: (R)-3-Benzyl-4-methoxy-4-oxobutanoic acid, (R)-(+)-2-BENZYLSUCCINIC ACID 1-METHYL ESTER, (3R)-3-benzyl-4-methoxy-4-oxobutanoic acid, 3414AA, 3-benzyl-4-methoxy-4-oxo-butanoic Acid
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 1.493 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 358.54132 |
Chemical Identifiers
| CAS Number | 119807-84-0 |
|---|---|
| SMILES | COC(=O)[C@H](CC1=CC=CC=C1)CC(=O)O |
Product Overview
(R)-3-Benzyl-4-methoxy-4-oxobutanoic acid (CAS 119807-84-0), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: (3R)-3-benzyl-4-methoxy-4-oxobutanoic acid.
Chemical Property Profile of (R)-3-Benzyl-4-methoxy-4-oxobutanoic acid
Property Insights of (R)-3-Benzyl-4-methoxy-4-oxobutanoic acid
The XLogP value of 1.493 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (R)-3-Benzyl-4-methoxy-4-oxobutanoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (R)-3-Benzyl-4-methoxy-4-oxobutanoic acid. Following Lipinski's Rule of Five, (R)-3-Benzyl-4-methoxy-4-oxobutanoic acid has 1 hydrogen bond donor(s) and 3 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 (R)-3-Benzyl-4-methoxy-4-oxobutanoic acid?
The CAS number of (R)-3-Benzyl-4-methoxy-4-oxobutanoic acid is 119807-84-0.
What is the molecular formula of (R)-3-Benzyl-4-methoxy-4-oxobutanoic acid?
The molecular formula of (R)-3-Benzyl-4-methoxy-4-oxobutanoic acid is C12H14O4.
What is the molecular weight of (R)-3-Benzyl-4-methoxy-4-oxobutanoic acid?
The molecular weight of (R)-3-Benzyl-4-methoxy-4-oxobutanoic acid is 222.09 g/mol.
Where can I buy (R)-3-Benzyl-4-methoxy-4-oxobutanoic acid?
You can request a quote for (R)-3-Benzyl-4-methoxy-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (R)-3-Benzyl-4-methoxy-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (R)-3-Benzyl-4-methoxy-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.