![5-Butyl-2-(4-chlorophenyl)-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one structure](/static/products/100/1003987-72-1.png)
5-Butyl-2-(4-chlorophenyl)-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
TL;DR: 5-Butyl-2-(4-chlorophenyl)-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one (CAS 1003987-72-1) is a chemical compound with molecular formula C19H25ClN2O and molecular weight 332.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butyl-2-(4-chlorophenyl)-7-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: 5-butyl-2-(4-chlorophenyl)-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one, (1R,3S,5r,7s)-5-butyl-2-(4-chlorophenyl)-7-methyl-1,3-diazaadamantan-6-one
| Molecular Formula | C19H25ClN2O |
|---|---|
| Molecular Weight | 332.17 g/mol |
| LogP | 3.7354 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.16553 |
| Heavy Atoms | 23 |
| Complexity | 610.7617 |
Chemical Identifiers
| CAS Number | 1003987-72-1 |
|---|---|
| SMILES | CCCCC12CN3CC(C1=O)(CN(C2)C3C4=CC=C(C=C4)Cl)C |
Product Overview
5-Butyl-2-(4-chlorophenyl)-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one (CAS 1003987-72-1), with molecular formula C19H25ClN2O and molecular weight 332.17 g/mol. IUPAC: 5-butyl-2-(4-chlorophenyl)-7-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
Chemical Property Profile of 5-Butyl-2-(4-chlorophenyl)-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Property Insights of 5-Butyl-2-(4-chlorophenyl)-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
The XLogP value of 3.7354 indicates that 5-Butyl-2-(4-chlorophenyl)-7-methyl-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 23.55 Ų, 5-Butyl-2-(4-chlorophenyl)-7-methyl-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, 5-Butyl-2-(4-chlorophenyl)-7-methyl-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 5-Butyl-2-(4-chlorophenyl)-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
The CAS number of 5-Butyl-2-(4-chlorophenyl)-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is 1003987-72-1.
What is the molecular formula of 5-Butyl-2-(4-chlorophenyl)-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
The molecular formula of 5-Butyl-2-(4-chlorophenyl)-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is C19H25ClN2O.
What is the molecular weight of 5-Butyl-2-(4-chlorophenyl)-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
The molecular weight of 5-Butyl-2-(4-chlorophenyl)-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is 332.17 g/mol.
Where can I buy 5-Butyl-2-(4-chlorophenyl)-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
You can request a quote for 5-Butyl-2-(4-chlorophenyl)-7-methyl-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 5-Butyl-2-(4-chlorophenyl)-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Butyl-2-(4-chlorophenyl)-7-methyl-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.