![4-Benzoyl-6,7-dimethyl-4-azatricyclo[4.3.0.0~3,7~]nonane-3-carbonitrile structure](/static/products/1005/1005272-77-4.webp)
4-Benzoyl-6,7-dimethyl-4-azatricyclo[4.3.0.0~3,7~]nonane-3-carbonitrile
TL;DR: 4-Benzoyl-6,7-dimethyl-4-azatricyclo[4.3.0.0~3,7~]nonane-3-carbonitrile (CAS 1005272-77-4) is a chemical compound with molecular formula C18H20N2O and molecular weight 280.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzoyl-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carbonitrile
Also Known As: 4-benzoyl-6,7-dimethyl-4-azatricyclo[4.3.0.0~3,7~]nonane-3-carbonitrile, AF-399/41981415, 2-benzoyl-3a,6a-dimethyloctahydro-1,4-methanocyclopenta[c]pyrrole-1-carbonitrile, 4-benzoyl-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carbonitrile, 6,7-dimethyl-9-(phenylcarbonyl)-9-azatricyclo[4.3.0.0<3,7>]nonanecarbonitrile
| Molecular Formula | C18H20N2O |
|---|---|
| Molecular Weight | 280.16 g/mol |
| LogP | 3.23108 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 280.15756 |
| Heavy Atoms | 21 |
| Complexity | 663.54596 |
Chemical Identifiers
| CAS Number | 1005272-77-4 |
|---|---|
| SMILES | CC12CCC3C1(CN(C2(C3)C#N)C(=O)C4=CC=CC=C4)C |
Product Overview
4-Benzoyl-6,7-dimethyl-4-azatricyclo[4.3.0.0~3,7~]nonane-3-carbonitrile (CAS 1005272-77-4), with molecular formula C18H20N2O and molecular weight 280.16 g/mol. IUPAC: 4-benzoyl-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carbonitrile.
Chemical Property Profile of 4-Benzoyl-6,7-dimethyl-4-azatricyclo[4.3.0.0~3,7~]nonane-3-carbonitrile
Property Insights of 4-Benzoyl-6,7-dimethyl-4-azatricyclo[4.3.0.0~3,7~]nonane-3-carbonitrile
The XLogP value of 3.23108 indicates that 4-Benzoyl-6,7-dimethyl-4-azatricyclo[4.3.0.0~3,7~]nonane-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, 4-Benzoyl-6,7-dimethyl-4-azatricyclo[4.3.0.0~3,7~]nonane-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzoyl-6,7-dimethyl-4-azatricyclo[4.3.0.0~3,7~]nonane-3-carbonitrile 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 4-Benzoyl-6,7-dimethyl-4-azatricyclo[4.3.0.0~3,7~]nonane-3-carbonitrile?
The CAS number of 4-Benzoyl-6,7-dimethyl-4-azatricyclo[4.3.0.0~3,7~]nonane-3-carbonitrile is 1005272-77-4.
What is the molecular formula of 4-Benzoyl-6,7-dimethyl-4-azatricyclo[4.3.0.0~3,7~]nonane-3-carbonitrile?
The molecular formula of 4-Benzoyl-6,7-dimethyl-4-azatricyclo[4.3.0.0~3,7~]nonane-3-carbonitrile is C18H20N2O.
What is the molecular weight of 4-Benzoyl-6,7-dimethyl-4-azatricyclo[4.3.0.0~3,7~]nonane-3-carbonitrile?
The molecular weight of 4-Benzoyl-6,7-dimethyl-4-azatricyclo[4.3.0.0~3,7~]nonane-3-carbonitrile is 280.16 g/mol.
Where can I buy 4-Benzoyl-6,7-dimethyl-4-azatricyclo[4.3.0.0~3,7~]nonane-3-carbonitrile?
You can request a quote for 4-Benzoyl-6,7-dimethyl-4-azatricyclo[4.3.0.0~3,7~]nonane-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzoyl-6,7-dimethyl-4-azatricyclo[4.3.0.0~3,7~]nonane-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzoyl-6,7-dimethyl-4-azatricyclo[4.3.0.0~3,7~]nonane-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.