![5-Amino-3-(4-methoxyphenyl)-7-oxo-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile structure](/static/products/4392/439288-56-9.webp)
5-Amino-3-(4-methoxyphenyl)-7-oxo-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
TL;DR: 5-Amino-3-(4-methoxyphenyl)-7-oxo-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile (CAS 439288-56-9) is a chemical compound with molecular formula C20H21N5O2 and molecular weight 363.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-3-(4-methoxyphenyl)-7-oxo-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
Also Known As: 5-Amino-3-(4-methoxyphenyl)-7-oxo-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile, A2561/0109098, 6-Azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile, 5-amino-3-(4-methoxyphenyl)-7-oxo-4-propyl-, 5-AMINO-1,2-DICYANO-3-(4-METHOXYPHENYL)-7-OXO-4-PROPYL-6-AZABICYCLO[3.2.1]OCT-2-YL CYANIDE, 5-Amino-3-(4-methoxyphenyl)-7-oxo-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile #
| Molecular Formula | C20H21N5O2 |
|---|---|
| Molecular Weight | 363.17 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.16953 |
| Heavy Atoms | 27 |
| Complexity | 758.0 |
Chemical Identifiers
| CAS Number | 439288-56-9 |
|---|---|
| SMILES | CCCC1C(C(C2(CC1(NC2=O)N)C#N)(C#N)C#N)C3=CC=C(C=C3)OC |
| InChIKey | JQQIKQWMRUJFLZ-UHFFFAOYSA-N |
Product Overview
5-Amino-3-(4-methoxyphenyl)-7-oxo-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile (CAS 439288-56-9), with molecular formula C20H21N5O2 and molecular weight 363.17 g/mol. IUPAC: 5-amino-3-(4-methoxyphenyl)-7-oxo-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile.
Chemical Property Profile of 5-Amino-3-(4-methoxyphenyl)-7-oxo-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
Property Insights of 5-Amino-3-(4-methoxyphenyl)-7-oxo-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-3-(4-methoxyphenyl)-7-oxo-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-3-(4-methoxyphenyl)-7-oxo-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile. Following Lipinski's Rule of Five, 5-Amino-3-(4-methoxyphenyl)-7-oxo-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile has 2 hydrogen bond donor(s) and 6 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-Amino-3-(4-methoxyphenyl)-7-oxo-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile?
The CAS number of 5-Amino-3-(4-methoxyphenyl)-7-oxo-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile is 439288-56-9.
What is the molecular formula of 5-Amino-3-(4-methoxyphenyl)-7-oxo-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile?
The molecular formula of 5-Amino-3-(4-methoxyphenyl)-7-oxo-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile is C20H21N5O2.
What is the molecular weight of 5-Amino-3-(4-methoxyphenyl)-7-oxo-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile?
The molecular weight of 5-Amino-3-(4-methoxyphenyl)-7-oxo-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile is 363.17 g/mol.
Where can I buy 5-Amino-3-(4-methoxyphenyl)-7-oxo-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile?
You can request a quote for 5-Amino-3-(4-methoxyphenyl)-7-oxo-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-3-(4-methoxyphenyl)-7-oxo-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-3-(4-methoxyphenyl)-7-oxo-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.