1-((4-Methylphenyl)methyl)-1,4-diazepane
TL;DR: 1-((4-Methylphenyl)methyl)-1,4-diazepane (CAS 110766-00-2) is a chemical compound with molecular formula C13H20N2 and molecular weight 204.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-methylphenyl)methyl]-1,4-diazepane
Also Known As: 1-[(4-methylphenyl)methyl]-1,4-diazepane, 1-(4-methylbenzyl)-1,4-diazepane, 1-(p-tolylmethyl)-1,4-diazepane, 1-(4-Methylbenzyl)hoMopiperazine, 95per cent, 1-(4-methylphenyl)methyl-1,4-diazepane
| Molecular Formula | C13H20N2 |
|---|---|
| Molecular Weight | 204.16 g/mol |
| LogP | 1.79032 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.16264 |
| Heavy Atoms | 15 |
| Complexity | 283.90918 |
Chemical Identifiers
| CAS Number | 110766-00-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2CCCNCC2 |
Product Overview
1-((4-Methylphenyl)methyl)-1,4-diazepane (CAS 110766-00-2), with molecular formula C13H20N2 and molecular weight 204.16 g/mol. IUPAC: 1-[(4-methylphenyl)methyl]-1,4-diazepane.
Chemical Property Profile of 1-((4-Methylphenyl)methyl)-1,4-diazepane
Property Insights of 1-((4-Methylphenyl)methyl)-1,4-diazepane
The XLogP value of 1.79032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((4-Methylphenyl)methyl)-1,4-diazepane. With a topological polar surface area (TPSA) of 15.27 Ų, 1-((4-Methylphenyl)methyl)-1,4-diazepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((4-Methylphenyl)methyl)-1,4-diazepane 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-((4-Methylphenyl)methyl)-1,4-diazepane?
The CAS number of 1-((4-Methylphenyl)methyl)-1,4-diazepane is 110766-00-2.
What is the molecular formula of 1-((4-Methylphenyl)methyl)-1,4-diazepane?
The molecular formula of 1-((4-Methylphenyl)methyl)-1,4-diazepane is C13H20N2.
What is the molecular weight of 1-((4-Methylphenyl)methyl)-1,4-diazepane?
The molecular weight of 1-((4-Methylphenyl)methyl)-1,4-diazepane is 204.16 g/mol.
Where can I buy 1-((4-Methylphenyl)methyl)-1,4-diazepane?
You can request a quote for 1-((4-Methylphenyl)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 1-((4-Methylphenyl)methyl)-1,4-diazepane?
Yes, KEHONG BIO provides custom synthesis services for 1-((4-Methylphenyl)methyl)-1,4-diazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.