Acetamide, 2-(4-chlorophenoxy)-N-(2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)ethyl)-, dihydrochloride
TL;DR: Acetamide, 2-(4-chlorophenoxy)-N-(2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)ethyl)-, dihydrochloride (CAS 87654-80-6) is a chemical compound with molecular formula C16H26Cl3N3O2 and molecular weight 397.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenoxy)-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]acetamide;dihydrochloride
Also Known As: Acetamide, 2-(4-chlorophenoxy)-N-(2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)ethyl)-, dihydrochloride, 2-(4-Chlorophenoxy)-N-(2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)ethyl)acetamide 2HCl, 2-(4-chlorophenoxy)-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]acetamide dihydrochloride, 2-(4-Chlorophenoxy)-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]acetamide--hydrogen chloride (1/2), RefChem:314453
| Molecular Formula | C16H26Cl3N3O2 |
|---|---|
| Molecular Weight | 397.11 g/mol |
| LogP | 2.3161 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.10907 |
| Heavy Atoms | 24 |
| Complexity | 474.14038 |
Chemical Identifiers
| CAS Number | 87654-80-6 |
|---|---|
| SMILES | CN1CCCN(CC1)CCNC(=O)COC2=CC=C(C=C2)Cl.Cl.Cl |
Product Overview
Acetamide, 2-(4-chlorophenoxy)-N-(2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)ethyl)-, dihydrochloride (CAS 87654-80-6), with molecular formula C16H26Cl3N3O2 and molecular weight 397.11 g/mol. IUPAC: 2-(4-chlorophenoxy)-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]acetamide;dihydrochloride.
Chemical Property Profile of Acetamide, 2-(4-chlorophenoxy)-N-(2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)ethyl)-, dihydrochloride
Property Insights of Acetamide, 2-(4-chlorophenoxy)-N-(2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)ethyl)-, dihydrochloride
The XLogP value of 2.3161 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetamide, 2-(4-chlorophenoxy)-N-(2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)ethyl)-, dihydrochloride. With a topological polar surface area (TPSA) of 44.81 Ų, Acetamide, 2-(4-chlorophenoxy)-N-(2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)ethyl)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetamide, 2-(4-chlorophenoxy)-N-(2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)ethyl)-, dihydrochloride has 1 hydrogen bond donor(s) and 4 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 Acetamide, 2-(4-chlorophenoxy)-N-(2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)ethyl)-, dihydrochloride?
The CAS number of Acetamide, 2-(4-chlorophenoxy)-N-(2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)ethyl)-, dihydrochloride is 87654-80-6.
What is the molecular formula of Acetamide, 2-(4-chlorophenoxy)-N-(2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)ethyl)-, dihydrochloride?
The molecular formula of Acetamide, 2-(4-chlorophenoxy)-N-(2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)ethyl)-, dihydrochloride is C16H26Cl3N3O2.
What is the molecular weight of Acetamide, 2-(4-chlorophenoxy)-N-(2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)ethyl)-, dihydrochloride?
The molecular weight of Acetamide, 2-(4-chlorophenoxy)-N-(2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)ethyl)-, dihydrochloride is 397.11 g/mol.
Where can I buy Acetamide, 2-(4-chlorophenoxy)-N-(2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)ethyl)-, dihydrochloride?
You can request a quote for Acetamide, 2-(4-chlorophenoxy)-N-(2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)ethyl)-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetamide, 2-(4-chlorophenoxy)-N-(2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)ethyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Acetamide, 2-(4-chlorophenoxy)-N-(2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)ethyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.