4-((1-Oxododecyl)amino)butanoic acid
TL;DR: 4-((1-Oxododecyl)amino)butanoic acid (CAS 52558-70-0) is a chemical compound with molecular formula C16H31NO3 and molecular weight 285.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dodecanoylamino)butanoic acid
Also Known As: N-Dodecanoyl-GABA, N-Dodecanoyl-4-aminobutyric acid, 4-(dodecanoylamino)butanoic acid, N-lauroyl-4-aminobutyric acid, 4-Dodecanoylaminobutyric acid
| Molecular Formula | C16H31NO3 |
|---|---|
| Molecular Weight | 285.23 g/mol |
| LogP | 3.8883 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 14 |
| Exact Mass | 285.2304 |
| Heavy Atoms | 20 |
| Complexity | 254.10654 |
Chemical Identifiers
| CAS Number | 52558-70-0 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)NCCCC(=O)O |
Product Overview
4-((1-Oxododecyl)amino)butanoic acid (CAS 52558-70-0), with molecular formula C16H31NO3 and molecular weight 285.23 g/mol. IUPAC: 4-(dodecanoylamino)butanoic acid.
Chemical Property Profile of 4-((1-Oxododecyl)amino)butanoic acid
Property Insights of 4-((1-Oxododecyl)amino)butanoic acid
The XLogP value of 3.8883 indicates that 4-((1-Oxododecyl)amino)butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((1-Oxododecyl)amino)butanoic acid. Following Lipinski's Rule of Five, 4-((1-Oxododecyl)amino)butanoic acid has 2 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-((1-Oxododecyl)amino)butanoic acid?
The CAS number of 4-((1-Oxododecyl)amino)butanoic acid is 52558-70-0.
What is the molecular formula of 4-((1-Oxododecyl)amino)butanoic acid?
The molecular formula of 4-((1-Oxododecyl)amino)butanoic acid is C16H31NO3.
What is the molecular weight of 4-((1-Oxododecyl)amino)butanoic acid?
The molecular weight of 4-((1-Oxododecyl)amino)butanoic acid is 285.23 g/mol.
Where can I buy 4-((1-Oxododecyl)amino)butanoic acid?
You can request a quote for 4-((1-Oxododecyl)amino)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((1-Oxododecyl)amino)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((1-Oxododecyl)amino)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.