氮丙辛
TL;DR: 氮丙辛 (CAS 448-34-0) is a chemical compound with molecular formula C18H24N2O and molecular weight 284.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氮丙辛
1-[3-(3-phenylprop-2-enyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
Also Known As: Azaprocin, 1-(3-Cinnamyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propan-1-one, 1-(3-Cinnamyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propan-1-one;3-Cinnamyl-8-propionyldiazabicyclo[3.2.1]octane
| Molecular Formula | C18H24N2O |
|---|---|
| Molecular Weight | 284.19 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.18887 |
| Heavy Atoms | 21 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 448-34-0 |
|---|---|
| SMILES | CCC(=O)N1C2CCC1CN(C2)CC=CC3=CC=CC=C3 |
| InChIKey | RKNSPEOBXHFNTD-UHFFFAOYSA-N |
Product Overview
氮丙辛 (CAS 448-34-0), with molecular formula C18H24N2O and molecular weight 284.19 g/mol. IUPAC: 1-[3-(3-phenylprop-2-enyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one.
Chemical Property Profile of 氮丙辛
Property Insights of 氮丙辛
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氮丙辛. With a topological polar surface area (TPSA) of 23.6 Ų, 氮丙辛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氮丙辛 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 氮丙辛?
The CAS number of 氮丙辛 is 448-34-0.
What is the molecular formula of 氮丙辛?
The molecular formula of 氮丙辛 is C18H24N2O.
What is the molecular weight of 氮丙辛?
The molecular weight of 氮丙辛 is 284.19 g/mol.
Where can I buy 氮丙辛?
You can request a quote for 氮丙辛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氮丙辛?
Yes, KEHONG BIO provides custom synthesis services for 氮丙辛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.