Methyl 3-(5-oxo-1,4-diazepan-1-yl)propanoate
TL;DR: Methyl 3-(5-oxo-1,4-diazepan-1-yl)propanoate (CAS 397244-78-9) is a chemical compound with molecular formula C9H16N2O3 and molecular weight 200.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(5-oxo-1,4-diazepan-1-yl)propanoate
Also Known As: Peakdale1_000858, methyl 3-(5-oxo-1,4-diazepan-1-yl)propanoate, Methyl hexahydro-5-oxo-1H-1,4-diazepine-1-propanoate
| Molecular Formula | C9H16N2O3 |
|---|---|
| Molecular Weight | 200.12 g/mol |
| LogP | -0.6286 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.11609 |
| Heavy Atoms | 14 |
| Complexity | 218.1026 |
Chemical Identifiers
| CAS Number | 397244-78-9 |
|---|---|
| SMILES | COC(=O)CCN1CCC(=O)NCC1 |
Product Overview
Methyl 3-(5-oxo-1,4-diazepan-1-yl)propanoate (CAS 397244-78-9), with molecular formula C9H16N2O3 and molecular weight 200.12 g/mol. IUPAC: methyl 3-(5-oxo-1,4-diazepan-1-yl)propanoate.
Chemical Property Profile of Methyl 3-(5-oxo-1,4-diazepan-1-yl)propanoate
Property Insights of Methyl 3-(5-oxo-1,4-diazepan-1-yl)propanoate
The XLogP value of -0.6286 indicates that Methyl 3-(5-oxo-1,4-diazepan-1-yl)propanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.64 Ų, Methyl 3-(5-oxo-1,4-diazepan-1-yl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(5-oxo-1,4-diazepan-1-yl)propanoate has 1 hydrogen bond donor(s) and 4 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 Methyl 3-(5-oxo-1,4-diazepan-1-yl)propanoate?
The CAS number of Methyl 3-(5-oxo-1,4-diazepan-1-yl)propanoate is 397244-78-9.
What is the molecular formula of Methyl 3-(5-oxo-1,4-diazepan-1-yl)propanoate?
The molecular formula of Methyl 3-(5-oxo-1,4-diazepan-1-yl)propanoate is C9H16N2O3.
What is the molecular weight of Methyl 3-(5-oxo-1,4-diazepan-1-yl)propanoate?
The molecular weight of Methyl 3-(5-oxo-1,4-diazepan-1-yl)propanoate is 200.12 g/mol.
Where can I buy Methyl 3-(5-oxo-1,4-diazepan-1-yl)propanoate?
You can request a quote for Methyl 3-(5-oxo-1,4-diazepan-1-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(5-oxo-1,4-diazepan-1-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(5-oxo-1,4-diazepan-1-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.