![4-[Benzyl(methyl)amino]-4-oxobutanoic acid structure](/static/products/6904/69049-90-7.webp)
4-[Benzyl(methyl)amino]-4-oxobutanoic acid
TL;DR: 4-[Benzyl(methyl)amino]-4-oxobutanoic acid (CAS 69049-90-7) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[benzyl(methyl)amino]-4-oxobutanoic acid
Also Known As: 4-[benzyl(methyl)amino]-4-oxobutanoic acid, 4-(Benzyl(methyl)amino)-4-oxobutanoic acid, 3-[benzyl(methyl)carbamoyl]propanoic acid, 4-[benzyl(methyl)amino]-4-oxobutanoicacid, 4-(Benzyl(methyl)amino)-4-oxobutanoicacid
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 1.5098 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 361.78644 |
Chemical Identifiers
| CAS Number | 69049-90-7 |
|---|---|
| SMILES | CN(CC1=CC=CC=C1)C(=O)CCC(=O)O |
Product Overview
4-[Benzyl(methyl)amino]-4-oxobutanoic acid (CAS 69049-90-7), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: 4-[benzyl(methyl)amino]-4-oxobutanoic acid.
Chemical Property Profile of 4-[Benzyl(methyl)amino]-4-oxobutanoic acid
Property Insights of 4-[Benzyl(methyl)amino]-4-oxobutanoic acid
The XLogP value of 1.5098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[Benzyl(methyl)amino]-4-oxobutanoic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 4-[Benzyl(methyl)amino]-4-oxobutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[Benzyl(methyl)amino]-4-oxobutanoic acid has 1 hydrogen bond donor(s) and 2 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-[Benzyl(methyl)amino]-4-oxobutanoic acid?
The CAS number of 4-[Benzyl(methyl)amino]-4-oxobutanoic acid is 69049-90-7.
What is the molecular formula of 4-[Benzyl(methyl)amino]-4-oxobutanoic acid?
The molecular formula of 4-[Benzyl(methyl)amino]-4-oxobutanoic acid is C12H15NO3.
What is the molecular weight of 4-[Benzyl(methyl)amino]-4-oxobutanoic acid?
The molecular weight of 4-[Benzyl(methyl)amino]-4-oxobutanoic acid is 221.11 g/mol.
Where can I buy 4-[Benzyl(methyl)amino]-4-oxobutanoic acid?
You can request a quote for 4-[Benzyl(methyl)amino]-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 4-[Benzyl(methyl)amino]-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[Benzyl(methyl)amino]-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.