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1-[(4-Bromophenyl)methyl]-4-methyl-1,4-diazepane
TL;DR: 1-[(4-Bromophenyl)methyl]-4-methyl-1,4-diazepane (CAS 280560-78-3) is a chemical compound with molecular formula C13H19BrN2 and molecular weight 282.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-bromophenyl)methyl]-4-methyl-1,4-diazepane
Also Known As: 1-[(4-bromophenyl)methyl]-4-methyl-1,4-diazepane, 1-(4-Bromobenzyl)-4-methylperhydro-1,4-diazepine, 1-(4-bromobenzyl)-4-methyl-1,4-diazepane, 1- -4-METHYLPERHYDRO-1,4-DIAZEPINE, 1H-1,4-Diazepine,1-[(4-bromophenyl)methyl]hexahydro-4-methyl-
| Molecular Formula | C13H19BrN2 |
|---|---|
| Molecular Weight | 282.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.07315 |
| Heavy Atoms | 16 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 280560-78-3 |
|---|---|
| SMILES | CN1CCCN(CC1)CC2=CC=C(C=C2)Br |
| InChIKey | WQUWRVLHCKJAMG-UHFFFAOYSA-N |
Product Overview
1-[(4-Bromophenyl)methyl]-4-methyl-1,4-diazepane (CAS 280560-78-3), with molecular formula C13H19BrN2 and molecular weight 282.07 g/mol. IUPAC: 1-[(4-bromophenyl)methyl]-4-methyl-1,4-diazepane.
Chemical Property Profile of 1-[(4-Bromophenyl)methyl]-4-methyl-1,4-diazepane
Property Insights of 1-[(4-Bromophenyl)methyl]-4-methyl-1,4-diazepane
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(4-Bromophenyl)methyl]-4-methyl-1,4-diazepane. With a topological polar surface area (TPSA) of 6.5 Ų, 1-[(4-Bromophenyl)methyl]-4-methyl-1,4-diazepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(4-Bromophenyl)methyl]-4-methyl-1,4-diazepane has 0 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-Bromophenyl)methyl]-4-methyl-1,4-diazepane?
The CAS number of 1-[(4-Bromophenyl)methyl]-4-methyl-1,4-diazepane is 280560-78-3.
What is the molecular formula of 1-[(4-Bromophenyl)methyl]-4-methyl-1,4-diazepane?
The molecular formula of 1-[(4-Bromophenyl)methyl]-4-methyl-1,4-diazepane is C13H19BrN2.
What is the molecular weight of 1-[(4-Bromophenyl)methyl]-4-methyl-1,4-diazepane?
The molecular weight of 1-[(4-Bromophenyl)methyl]-4-methyl-1,4-diazepane is 282.07 g/mol.
Where can I buy 1-[(4-Bromophenyl)methyl]-4-methyl-1,4-diazepane?
You can request a quote for 1-[(4-Bromophenyl)methyl]-4-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-Bromophenyl)methyl]-4-methyl-1,4-diazepane?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-Bromophenyl)methyl]-4-methyl-1,4-diazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.