1-((4-Methoxyphenyl)methyl)-1,4-diazepane
TL;DR: 1-((4-Methoxyphenyl)methyl)-1,4-diazepane (CAS 61903-26-2) is a chemical compound with molecular formula C13H20N2O and molecular weight 220.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-methoxyphenyl)methyl]-1,4-diazepane
Also Known As: 1-[(4-methoxyphenyl)methyl]-1,4-diazepane, 1-(4-methoxybenzyl)-1,4-diazepane, 1-(4-Methoxy-benzyl)-[1,4]diazepane, 1-((4-Methoxyphenyl)methyl)-1,4-diazepane, 1H-1,4-Diazepine, hexahydro-1-[(4-methoxyphenyl)methyl]-
| Molecular Formula | C13H20N2O |
|---|---|
| Molecular Weight | 220.16 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 24.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.15756 |
| Heavy Atoms | 16 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 61903-26-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2CCCNCC2 |
| InChIKey | YEOXLCZSXSVSCH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-((4-Methoxyphenyl)methyl)-1,4-diazepane (CAS 61903-26-2), with molecular formula C13H20N2O and molecular weight 220.16 g/mol. IUPAC: 1-[(4-methoxyphenyl)methyl]-1,4-diazepane.
Chemical Property Profile of 1-((4-Methoxyphenyl)methyl)-1,4-diazepane
Property Insights of 1-((4-Methoxyphenyl)methyl)-1,4-diazepane
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((4-Methoxyphenyl)methyl)-1,4-diazepane. With a topological polar surface area (TPSA) of 24.5 Ų, 1-((4-Methoxyphenyl)methyl)-1,4-diazepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((4-Methoxyphenyl)methyl)-1,4-diazepane has 1 hydrogen bond donor(s) and 3 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-Methoxyphenyl)methyl)-1,4-diazepane?
The CAS number of 1-((4-Methoxyphenyl)methyl)-1,4-diazepane is 61903-26-2.
What is the molecular formula of 1-((4-Methoxyphenyl)methyl)-1,4-diazepane?
The molecular formula of 1-((4-Methoxyphenyl)methyl)-1,4-diazepane is C13H20N2O.
What is the molecular weight of 1-((4-Methoxyphenyl)methyl)-1,4-diazepane?
The molecular weight of 1-((4-Methoxyphenyl)methyl)-1,4-diazepane is 220.16 g/mol.
Where can I buy 1-((4-Methoxyphenyl)methyl)-1,4-diazepane?
You can request a quote for 1-((4-Methoxyphenyl)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-Methoxyphenyl)methyl)-1,4-diazepane?
Yes, KEHONG BIO provides custom synthesis services for 1-((4-Methoxyphenyl)methyl)-1,4-diazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.