![2-(4-Chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one structure](/static/products/681/681839-46-3.png)
2-(4-Chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
TL;DR: 2-(4-Chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one (CAS 681839-46-3) is a chemical compound with molecular formula C20H27ClN2O and molecular weight 346.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: A3103/0131419, 2-(4-chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one, (1R,3S,5r,7r)-2-(4-chlorophenyl)-5,7-dipropyl-1,3-diazaadamantan-6-one
| Molecular Formula | C20H27ClN2O |
|---|---|
| Molecular Weight | 346.18 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.18118 |
| Heavy Atoms | 24 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 681839-46-3 |
|---|---|
| SMILES | CCCC12CN3CC(C1=O)(CN(C2)C3C4=CC=C(C=C4)Cl)CCC |
| InChIKey | ZBQQIPKCOZHQCP-UHFFFAOYSA-N |
Product Overview
2-(4-Chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one (CAS 681839-46-3), with molecular formula C20H27ClN2O and molecular weight 346.18 g/mol. IUPAC: 2-(4-chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
Chemical Property Profile of 2-(4-Chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Property Insights of 2-(4-Chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
The XLogP value of 4.1 indicates that 2-(4-Chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, 2-(4-Chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one has 0 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 2-(4-Chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
The CAS number of 2-(4-Chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is 681839-46-3.
What is the molecular formula of 2-(4-Chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
The molecular formula of 2-(4-Chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is C20H27ClN2O.
What is the molecular weight of 2-(4-Chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
The molecular weight of 2-(4-Chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is 346.18 g/mol.
Where can I buy 2-(4-Chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
You can request a quote for 2-(4-Chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.