Methyl-12-cytisine acetate
TL;DR: Methyl-12-cytisine acetate (CAS 1212347-01-7) is a chemical compound with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxylate
Also Known As: Methyl-12-cytisine acetate, (1R,5R)-Methyl 8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxylate
| Molecular Formula | C13H16N2O3 |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | 1.0338 |
| Topological Polar Surface Area | 51.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.11609 |
| Heavy Atoms | 18 |
| Complexity | 537.283 |
Chemical Identifiers
| CAS Number | 1212347-01-7 |
|---|---|
| SMILES | COC(=O)N1C[C@@H]2C[C@@H](C1)C3=CC=CC(=O)N3C2 |
Product Overview
Methyl-12-cytisine acetate (CAS 1212347-01-7), with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol. IUPAC: methyl (1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxylate.
Chemical Property Profile of Methyl-12-cytisine acetate
Property Insights of Methyl-12-cytisine acetate
The XLogP value of 1.0338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl-12-cytisine acetate. With a topological polar surface area (TPSA) of 51.54 Ų, Methyl-12-cytisine acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl-12-cytisine acetate 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 Methyl-12-cytisine acetate?
The CAS number of Methyl-12-cytisine acetate is 1212347-01-7.
What is the molecular formula of Methyl-12-cytisine acetate?
The molecular formula of Methyl-12-cytisine acetate is C13H16N2O3.
What is the molecular weight of Methyl-12-cytisine acetate?
The molecular weight of Methyl-12-cytisine acetate is 248.12 g/mol.
Where can I buy Methyl-12-cytisine acetate?
You can request a quote for Methyl-12-cytisine acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl-12-cytisine acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl-12-cytisine acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.