12-Amino-2-benzyl-12-oxododecanoic acid
TL;DR: 12-Amino-2-benzyl-12-oxododecanoic acid (CAS 161695-12-1) is a chemical compound with molecular formula C19H29NO3 and molecular weight 319.21475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
12-amino-2-benzyl-12-oxododecanoic acid
Also Known As: 12-amino-2-benzyl-12-oxododecanoic acid, 11-carbamoyl-2-benzylundecanoic acid, 2-BENZYL-11-CARBAMOYLUNDECANOIC ACID
Technical Specifications
| Molecular Formula | C19H29NO3 |
| Molecular Weight | 319.21475 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 80.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 319.21475 Da |
| Heavy Atoms | 23 |
| Complexity | 338.0 |
| SMILES | C1=CC=C(C=C1)CC(CCCCCCCCCC(=O)N)C(=O)O |
| InChIKey | UMSQZSNAZSYHPJ-UHFFFAOYSA-N |
Chemical Property Profile of 12-Amino-2-benzyl-12-oxododecanoic acid
Property Insights of 12-Amino-2-benzyl-12-oxododecanoic acid
The XLogP value of 4.5 indicates that 12-Amino-2-benzyl-12-oxododecanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-Amino-2-benzyl-12-oxododecanoic acid. Following Lipinski's Rule of Five, 12-Amino-2-benzyl-12-oxododecanoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 12-Amino-2-benzyl-12-oxododecanoic acid?
The CAS number of 12-Amino-2-benzyl-12-oxododecanoic acid is 161695-12-1.
What is the molecular formula of 12-Amino-2-benzyl-12-oxododecanoic acid?
The molecular formula of 12-Amino-2-benzyl-12-oxododecanoic acid is C19H29NO3.
What is the molecular weight of 12-Amino-2-benzyl-12-oxododecanoic acid?
The molecular weight of 12-Amino-2-benzyl-12-oxododecanoic acid is 319.21475 g/mol.
Where can I buy 12-Amino-2-benzyl-12-oxododecanoic acid?
You can request a quote for 12-Amino-2-benzyl-12-oxododecanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 12-Amino-2-benzyl-12-oxododecanoic acid?
Yes, CoreyChem provides custom synthesis services for 12-Amino-2-benzyl-12-oxododecanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.