![1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-methyl-1,4-diazepane structure](/static/products/860/860648-87-9.png)
1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-methyl-1,4-diazepane
TL;DR: 1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-methyl-1,4-diazepane (CAS 860648-87-9) is a chemical compound with molecular formula C15H19ClN4O and molecular weight 306.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-5-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole
Also Known As: 1-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-methyl-1,4-diazepane, 3-(4-chlorophenyl)-5-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole, 10X-0363, 1-([3-(4-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL)-4-METHYL-1,4-DIAZEPANE, 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-1,4-diazepane
| Molecular Formula | C15H19ClN4O |
|---|---|
| Molecular Weight | 306.12 g/mol |
| LogP | 2.5275 |
| Topological Polar Surface Area | 45.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.12473 |
| Heavy Atoms | 21 |
| Complexity | 583.6145 |
Chemical Identifiers
| CAS Number | 860648-87-9 |
|---|---|
| SMILES | CN1CCCN(CC1)CC2=NC(=NO2)C3=CC=C(C=C3)Cl |
Product Overview
1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-methyl-1,4-diazepane (CAS 860648-87-9), with molecular formula C15H19ClN4O and molecular weight 306.12 g/mol. IUPAC: 3-(4-chlorophenyl)-5-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole.
Chemical Property Profile of 1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-methyl-1,4-diazepane
Property Insights of 1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-methyl-1,4-diazepane
The XLogP value of 2.5275 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-methyl-1,4-diazepane. With a topological polar surface area (TPSA) of 45.4 Ų, 1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-methyl-1,4-diazepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-methyl-1,4-diazepane has 0 hydrogen bond donor(s) and 5 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-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-methyl-1,4-diazepane?
The CAS number of 1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-methyl-1,4-diazepane is 860648-87-9.
What is the molecular formula of 1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-methyl-1,4-diazepane?
The molecular formula of 1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-methyl-1,4-diazepane is C15H19ClN4O.
What is the molecular weight of 1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-methyl-1,4-diazepane?
The molecular weight of 1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-methyl-1,4-diazepane is 306.12 g/mol.
Where can I buy 1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-methyl-1,4-diazepane?
You can request a quote for 1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]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-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-methyl-1,4-diazepane?
Yes, KEHONG BIO provides custom synthesis services for 1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-methyl-1,4-diazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.