(+)-Spartein Surrogate
TL;DR: (+)-Spartein Surrogate (CAS 96248-94-1) is a chemical compound with molecular formula C12H22N2 and molecular weight 194.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecane
Also Known As: (+)-Spartein Surrogate, N-methyltetrahydrodeoxocytisine, 3-Methyl-decahydro-1,5-methano-pyrido[1,2-a][1,5]diazocine, 11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecane, 3-Methyldecahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine
| Molecular Formula | C12H22N2 |
|---|---|
| Molecular Weight | 194.18 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.1783 |
| Heavy Atoms | 14 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 96248-94-1 |
|---|---|
| SMILES | CN1CC2CC(C1)C3CCCCN3C2 |
| InChIKey | JHVZGAIDVLLSEV-UHFFFAOYSA-N |
Product Overview
(+)-Spartein Surrogate (CAS 96248-94-1), with molecular formula C12H22N2 and molecular weight 194.18 g/mol. IUPAC: 11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecane.
Chemical Property Profile of (+)-Spartein Surrogate
Property Insights of (+)-Spartein Surrogate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+)-Spartein Surrogate. With a topological polar surface area (TPSA) of 6.5 Ų, (+)-Spartein Surrogate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+)-Spartein Surrogate 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 (+)-Spartein Surrogate?
The CAS number of (+)-Spartein Surrogate is 96248-94-1.
What is the molecular formula of (+)-Spartein Surrogate?
The molecular formula of (+)-Spartein Surrogate is C12H22N2.
What is the molecular weight of (+)-Spartein Surrogate?
The molecular weight of (+)-Spartein Surrogate is 194.18 g/mol.
Where can I buy (+)-Spartein Surrogate?
You can request a quote for (+)-Spartein Surrogate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-Spartein Surrogate?
Yes, KEHONG BIO provides custom synthesis services for (+)-Spartein Surrogate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.