1-(2,3-Dichlorobenzyl)-4-methyl-1,4-diazepane
TL;DR: 1-(2,3-Dichlorobenzyl)-4-methyl-1,4-diazepane (CAS 414879-17-7) is a chemical compound with molecular formula C13H18Cl2N2 and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2,3-dichlorophenyl)methyl]-4-methyl-1,4-diazepane
Also Known As: BAS 01617291, 1-(2,3-dichlorobenzyl)-4-methyl-1,4-diazepane, 1-[(2,3-dichlorophenyl)methyl]-4-methyl-1,4-diazepane, 1-(2,3-Dichloro-benzyl)-4-methyl-[1,4]diazepane, Cambridge id 5261392
| Molecular Formula | C13H18Cl2N2 |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.08472 |
| Heavy Atoms | 17 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 414879-17-7 |
|---|---|
| SMILES | CN1CCCN(CC1)CC2=C(C(=CC=C2)Cl)Cl |
| InChIKey | CLZXYEUGZXZRLB-UHFFFAOYSA-N |
Product Overview
1-(2,3-Dichlorobenzyl)-4-methyl-1,4-diazepane (CAS 414879-17-7), with molecular formula C13H18Cl2N2 and molecular weight 272.08 g/mol. IUPAC: 1-[(2,3-dichlorophenyl)methyl]-4-methyl-1,4-diazepane.
Chemical Property Profile of 1-(2,3-Dichlorobenzyl)-4-methyl-1,4-diazepane
Property Insights of 1-(2,3-Dichlorobenzyl)-4-methyl-1,4-diazepane
The XLogP value of 3.2 indicates that 1-(2,3-Dichlorobenzyl)-4-methyl-1,4-diazepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.5 Ų, 1-(2,3-Dichlorobenzyl)-4-methyl-1,4-diazepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,3-Dichlorobenzyl)-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-(2,3-Dichlorobenzyl)-4-methyl-1,4-diazepane?
The CAS number of 1-(2,3-Dichlorobenzyl)-4-methyl-1,4-diazepane is 414879-17-7.
What is the molecular formula of 1-(2,3-Dichlorobenzyl)-4-methyl-1,4-diazepane?
The molecular formula of 1-(2,3-Dichlorobenzyl)-4-methyl-1,4-diazepane is C13H18Cl2N2.
What is the molecular weight of 1-(2,3-Dichlorobenzyl)-4-methyl-1,4-diazepane?
The molecular weight of 1-(2,3-Dichlorobenzyl)-4-methyl-1,4-diazepane is 272.08 g/mol.
Where can I buy 1-(2,3-Dichlorobenzyl)-4-methyl-1,4-diazepane?
You can request a quote for 1-(2,3-Dichlorobenzyl)-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-(2,3-Dichlorobenzyl)-4-methyl-1,4-diazepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3-Dichlorobenzyl)-4-methyl-1,4-diazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.