5,6-Didehydro-alpha-isolupanine
TL;DR: 5,6-Didehydro-alpha-isolupanine (CAS 79392-35-1) is a chemical compound with molecular formula C15H22N2O and molecular weight 246.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-6-one
Also Known As: 5,6-Didehydro-alpha-isolupanine, 5,6-Dehydro-alpha-isolupanin, 5,6-DIDEHYDRO-.ALPHA.-ISOLUPANINE, J1.194.949E, 7,14-Methano-2H,11H-dipyrido(1,2-a:1',2'-e)(1,5)diazocin-11-one,1,3,4,6,7,9,10,13,14,14a-decahydro-, (7S,14S,14aR)-
| Molecular Formula | C15H22N2O |
|---|---|
| Molecular Weight | 246.17 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.17322 |
| Heavy Atoms | 18 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 79392-35-1 |
|---|---|
| SMILES | C1CCN2C[C@@H]3C[C@H]([C@H]2C1)CN4C3=CCCC4=O |
| InChIKey | GSQQGCZVTAUICD-RWMBFGLXSA-N |
Product Overview
5,6-Didehydro-alpha-isolupanine (CAS 79392-35-1), with molecular formula C15H22N2O and molecular weight 246.17 g/mol. IUPAC: (1S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-6-one.
Chemical Property Profile of 5,6-Didehydro-alpha-isolupanine
Property Insights of 5,6-Didehydro-alpha-isolupanine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-Didehydro-alpha-isolupanine. With a topological polar surface area (TPSA) of 23.6 Ų, 5,6-Didehydro-alpha-isolupanine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-Didehydro-alpha-isolupanine 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 5,6-Didehydro-alpha-isolupanine?
The CAS number of 5,6-Didehydro-alpha-isolupanine is 79392-35-1.
What is the molecular formula of 5,6-Didehydro-alpha-isolupanine?
The molecular formula of 5,6-Didehydro-alpha-isolupanine is C15H22N2O.
What is the molecular weight of 5,6-Didehydro-alpha-isolupanine?
The molecular weight of 5,6-Didehydro-alpha-isolupanine is 246.17 g/mol.
Where can I buy 5,6-Didehydro-alpha-isolupanine?
You can request a quote for 5,6-Didehydro-alpha-isolupanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-Didehydro-alpha-isolupanine?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Didehydro-alpha-isolupanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.