4-(Azepan-1-yl)-4-oxobutanoic acid
TL;DR: 4-(Azepan-1-yl)-4-oxobutanoic acid (CAS 154740-93-9) is a chemical compound with molecular formula C10H17NO3 and molecular weight 199.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(azepan-1-yl)-4-oxobutanoic acid
Also Known As: 4-(azepan-1-yl)-4-oxobutanoic acid, 4-(1-AZEPANYL)-4-OXOBUTANOIC ACID, 4-Azepan-1-yl-4-oxobutanoic acid, 4-(azepan-1-yl)-4-oxo-butanoic Acid, 4-(1-azepanyl)-4-oxobutyric acid
Technical Specifications
| Molecular Formula | C10H17NO3 |
| Molecular Weight | 199.12085 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.12085 Da |
| Heavy Atoms | 14 |
| Complexity | 207.0 |
| SMILES | C1CCCN(CC1)C(=O)CCC(=O)O |
| InChIKey | NQZZZROTIKCZGY-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Azepan-1-yl)-4-oxobutanoic acid
Property Insights of 4-(Azepan-1-yl)-4-oxobutanoic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Azepan-1-yl)-4-oxobutanoic acid. With a topological polar surface area (TPSA) of 57.6 Ų, 4-(Azepan-1-yl)-4-oxobutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Azepan-1-yl)-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
What is the CAS number of 4-(Azepan-1-yl)-4-oxobutanoic acid?
The CAS number of 4-(Azepan-1-yl)-4-oxobutanoic acid is 154740-93-9.
What is the molecular formula of 4-(Azepan-1-yl)-4-oxobutanoic acid?
The molecular formula of 4-(Azepan-1-yl)-4-oxobutanoic acid is C10H17NO3.
What is the molecular weight of 4-(Azepan-1-yl)-4-oxobutanoic acid?
The molecular weight of 4-(Azepan-1-yl)-4-oxobutanoic acid is 199.12085 g/mol.
Where can I buy 4-(Azepan-1-yl)-4-oxobutanoic acid?
You can request a quote for 4-(Azepan-1-yl)-4-oxobutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Azepan-1-yl)-4-oxobutanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(Azepan-1-yl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.