2-Methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine
TL;DR: 2-Methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine (CAS 18237-68-8) is a chemical compound with molecular formula C6H12N2 and molecular weight 112.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine
Also Known As: 2-methyl-1,3-diazacycloheptene, 2-Methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine, 4,5,6,7-Tetrahydro-2-methyl-1H-1,3-diazepine, 1H-1,3-Diazepine, 4,5,6,7-tetrahydro-2-methyl-, 2-Methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine #
| Molecular Formula | C6H12N2 |
|---|---|
| Molecular Weight | 112.10 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 24.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.10005 |
| Heavy Atoms | 8 |
| Complexity | 96.0 |
Chemical Identifiers
| CAS Number | 18237-68-8 |
|---|---|
| SMILES | CC1=NCCCCN1 |
| InChIKey | YSMWZGUYANZCOM-UHFFFAOYSA-N |
Product Overview
2-Methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine (CAS 18237-68-8), with molecular formula C6H12N2 and molecular weight 112.10 g/mol. IUPAC: 2-methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine.
Chemical Property Profile of 2-Methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine
Property Insights of 2-Methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine
The XLogP value of -0.1 indicates that 2-Methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 24.4 Ų, 2-Methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine has 1 hydrogen bond donor(s) and 1 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 2-Methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine?
The CAS number of 2-Methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine is 18237-68-8.
What is the molecular formula of 2-Methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine?
The molecular formula of 2-Methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine is C6H12N2.
What is the molecular weight of 2-Methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine?
The molecular weight of 2-Methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine is 112.10 g/mol.
Where can I buy 2-Methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine?
You can request a quote for 2-Methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.