1-Methyl-1,4-diazepan-5-one
TL;DR: 1-Methyl-1,4-diazepan-5-one (CAS 6638-45-5) is a chemical compound with molecular formula C6H12N2O and molecular weight 128.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-1,4-diazepan-5-one
Also Known As: 1-methyl-1,4-diazepan-5-one, N-Methyl-5-homopiperazinone, 1-Methyl-5-homopiperazinone, 3-Acetyl-7-hydroxycoumarin, 1-Methyl-[1,4]diazepan-5-one
| Molecular Formula | C6H12N2O |
|---|---|
| Molecular Weight | 128.09 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.09496 |
| Heavy Atoms | 9 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 6638-45-5 |
|---|---|
| SMILES | CN1CCC(=O)NCC1 |
| InChIKey | FZYSZYWKHFCLSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-1,4-diazepan-5-one (CAS 6638-45-5), with molecular formula C6H12N2O and molecular weight 128.09 g/mol. IUPAC: 1-methyl-1,4-diazepan-5-one.
Chemical Property Profile of 1-Methyl-1,4-diazepan-5-one
Property Insights of 1-Methyl-1,4-diazepan-5-one
The XLogP value of -0.7 indicates that 1-Methyl-1,4-diazepan-5-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 32.3 Ų, 1-Methyl-1,4-diazepan-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-1,4-diazepan-5-one has 1 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 1-Methyl-1,4-diazepan-5-one?
The CAS number of 1-Methyl-1,4-diazepan-5-one is 6638-45-5.
What is the molecular formula of 1-Methyl-1,4-diazepan-5-one?
The molecular formula of 1-Methyl-1,4-diazepan-5-one is C6H12N2O.
What is the molecular weight of 1-Methyl-1,4-diazepan-5-one?
The molecular weight of 1-Methyl-1,4-diazepan-5-one is 128.09 g/mol.
Where can I buy 1-Methyl-1,4-diazepan-5-one?
You can request a quote for 1-Methyl-1,4-diazepan-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-1,4-diazepan-5-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-1,4-diazepan-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.