6-Methyl-1,4-diazepane
TL;DR: 6-Methyl-1,4-diazepane (CAS 89582-17-2) is a chemical compound with molecular formula C6H14N2 and molecular weight 114.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-1,4-diazepane
Also Known As: 6-methyl-1,4-diazepane, 6-Methyl-[1,4]diazepane, 1H-1,4-Diazepine,hexahydro-6-methyl-, 6H-1,4-Diazepine, hexahydro-6-methyl-,, 4-chloro-1-methyl-1H-pyrazole-3-carbaldehyde
| Molecular Formula | C6H14N2 |
|---|---|
| Molecular Weight | 114.12 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 24.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.1157 |
| Heavy Atoms | 8 |
| Complexity | 55.0 |
Chemical Identifiers
| CAS Number | 89582-17-2 |
|---|---|
| SMILES | CC1CNCCNC1 |
| InChIKey | VMJOIXFVKVPLRQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Methyl-1,4-diazepane (CAS 89582-17-2), with molecular formula C6H14N2 and molecular weight 114.12 g/mol. IUPAC: 6-methyl-1,4-diazepane.
Chemical Property Profile of 6-Methyl-1,4-diazepane
Property Insights of 6-Methyl-1,4-diazepane
The XLogP value of -0.1 indicates that 6-Methyl-1,4-diazepane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 24.1 Ų, 6-Methyl-1,4-diazepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-1,4-diazepane has 2 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 6-Methyl-1,4-diazepane?
The CAS number of 6-Methyl-1,4-diazepane is 89582-17-2.
What is the molecular formula of 6-Methyl-1,4-diazepane?
The molecular formula of 6-Methyl-1,4-diazepane is C6H14N2.
What is the molecular weight of 6-Methyl-1,4-diazepane?
The molecular weight of 6-Methyl-1,4-diazepane is 114.12 g/mol.
Where can I buy 6-Methyl-1,4-diazepane?
You can request a quote for 6-Methyl-1,4-diazepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methyl-1,4-diazepane?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-1,4-diazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.