N-Methylalbine
TL;DR: N-Methylalbine (CAS 79448-12-7) 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,2R,9R)-11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-one
Also Known As: N-Methylalbine, KST-1A8269, KST-1A8270, Seco(11,12)-12-dehydromultiflorine, 11,12-seco-12,13-Didehydromultiflorine
| Molecular Formula | C15H22N2O |
|---|---|
| Molecular Weight | 246.17 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.17322 |
| Heavy Atoms | 18 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 79448-12-7 |
|---|---|
| SMILES | C=CCCN1C[C@H]2C[C@@H](C1)[C@H]3CC(=O)C=CN3C2 |
| InChIKey | QEFLZWOIQICVRH-VNHYZAJKSA-N |
Product Overview
N-Methylalbine (CAS 79448-12-7), with molecular formula C15H22N2O and molecular weight 246.17 g/mol. IUPAC: (1S,2R,9R)-11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-one.
Chemical Property Profile of N-Methylalbine
Property Insights of N-Methylalbine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methylalbine. With a topological polar surface area (TPSA) of 23.6 Ų, N-Methylalbine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methylalbine has 0 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 N-Methylalbine?
The CAS number of N-Methylalbine is 79448-12-7.
What is the molecular formula of N-Methylalbine?
The molecular formula of N-Methylalbine is C15H22N2O.
What is the molecular weight of N-Methylalbine?
The molecular weight of N-Methylalbine is 246.17 g/mol.
Where can I buy N-Methylalbine?
You can request a quote for N-Methylalbine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methylalbine?
Yes, KEHONG BIO provides custom synthesis services for N-Methylalbine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.