4-Oxo-4-(5-oxo-1,4-diazepan-1-yl)butanoic acid
TL;DR: 4-Oxo-4-(5-oxo-1,4-diazepan-1-yl)butanoic acid (CAS 397244-77-8) is a chemical compound with molecular formula C9H14N2O4 and molecular weight 214.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-(5-oxo-1,4-diazepan-1-yl)butanoic acid
Also Known As: 4-oxo-4-(5-oxo-1,4-diazepan-1-yl)butanoic acid, Peakdale1_000856, 4-Oxo-4- butanoicacid, 2-(4-Chlorobutoxy)tetrahydropyran, 2471AE
| Molecular Formula | C9H14N2O4 |
|---|---|
| Molecular Weight | 214.10 g/mol |
| LogP | -0.8003 |
| Topological Polar Surface Area | 86.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.09535 |
| Heavy Atoms | 15 |
| Complexity | 277.28592 |
Chemical Identifiers
| CAS Number | 397244-77-8 |
|---|---|
| SMILES | C1CN(CCNC1=O)C(=O)CCC(=O)O |
Product Overview
4-Oxo-4-(5-oxo-1,4-diazepan-1-yl)butanoic acid (CAS 397244-77-8), with molecular formula C9H14N2O4 and molecular weight 214.10 g/mol. IUPAC: 4-oxo-4-(5-oxo-1,4-diazepan-1-yl)butanoic acid.
Chemical Property Profile of 4-Oxo-4-(5-oxo-1,4-diazepan-1-yl)butanoic acid
Property Insights of 4-Oxo-4-(5-oxo-1,4-diazepan-1-yl)butanoic acid
The XLogP value of -0.8003 indicates that 4-Oxo-4-(5-oxo-1,4-diazepan-1-yl)butanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-4-(5-oxo-1,4-diazepan-1-yl)butanoic acid. Following Lipinski's Rule of Five, 4-Oxo-4-(5-oxo-1,4-diazepan-1-yl)butanoic 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
Frequently Asked Questions
What is the CAS number of 4-Oxo-4-(5-oxo-1,4-diazepan-1-yl)butanoic acid?
The CAS number of 4-Oxo-4-(5-oxo-1,4-diazepan-1-yl)butanoic acid is 397244-77-8.
What is the molecular formula of 4-Oxo-4-(5-oxo-1,4-diazepan-1-yl)butanoic acid?
The molecular formula of 4-Oxo-4-(5-oxo-1,4-diazepan-1-yl)butanoic acid is C9H14N2O4.
What is the molecular weight of 4-Oxo-4-(5-oxo-1,4-diazepan-1-yl)butanoic acid?
The molecular weight of 4-Oxo-4-(5-oxo-1,4-diazepan-1-yl)butanoic acid is 214.10 g/mol.
Where can I buy 4-Oxo-4-(5-oxo-1,4-diazepan-1-yl)butanoic acid?
You can request a quote for 4-Oxo-4-(5-oxo-1,4-diazepan-1-yl)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-Oxo-4-(5-oxo-1,4-diazepan-1-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-4-(5-oxo-1,4-diazepan-1-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.