Ispronicline
TL;DR: Ispronicline (CAS 482299-54-7) is a chemical compound with molecular formula C14H22N2O and molecular weight 234.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E,2S)-N-methyl-5-(5-propan-2-yloxy-3-pyridinyl)pent-4-en-2-amine
Also Known As: Ispronicline, Isproniclina, isproniclinum, Ispronicline (INN/USAN), Ispronicline [USAN:INN]
| Molecular Formula | C14H22N2O |
|---|---|
| Molecular Weight | 234.17 g/mol |
| LogP | 2.88 |
| Topological Polar Surface Area | 34.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 234.17322 |
| Heavy Atoms | 17 |
| Complexity | 360.99478 |
Chemical Identifiers
| CAS Number | 482299-54-7 |
|---|---|
| SMILES | C[C@@H](C/C=C/C1=CC(=CN=C1)OC(C)C)NC |
Product Overview
Ispronicline (CAS 482299-54-7), with molecular formula C14H22N2O and molecular weight 234.17 g/mol. IUPAC: (E,2S)-N-methyl-5-(5-propan-2-yloxy-3-pyridinyl)pent-4-en-2-amine.
Chemical Property Profile of Ispronicline
Property Insights of Ispronicline
The XLogP value of 2.88 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ispronicline. With a topological polar surface area (TPSA) of 34.15 Ų, Ispronicline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ispronicline has 1 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 Ispronicline?
The CAS number of Ispronicline is 482299-54-7.
What is the molecular formula of Ispronicline?
The molecular formula of Ispronicline is C14H22N2O.
What is the molecular weight of Ispronicline?
The molecular weight of Ispronicline is 234.17 g/mol.
Where can I buy Ispronicline?
You can request a quote for Ispronicline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ispronicline?
Yes, KEHONG BIO provides custom synthesis services for Ispronicline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.