Bulbocapnine methiodide
TL;DR: Bulbocapnine methiodide (CAS 5787-06-4) is a chemical compound with molecular formula C20H22INO4 and molecular weight 467.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(12S)-17-methoxy-11,11-dimethyl-3,5-dioxa-11-azoniapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-18-ol iodide
Also Known As: Bulbocapnine methiodide, N-Methylbulbocapninium iodide, 6a-alpha-Aporphinium, 11-hydroxy-6-methyl-10-methoxy-1,2-(methylenedioxy)-, iodide, 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolinium, 6,7,7a,8-tetrahydro-12-hydroxy-11-methoxy-7-methyl-, iodide, (S)-, RefChem:330333
| Molecular Formula | C20H22INO4 |
|---|---|
| Molecular Weight | 467.06 g/mol |
| LogP | 0.0302 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 467.05936 |
| Heavy Atoms | 26 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 5787-06-4 |
|---|---|
| SMILES | C[N+]1(CCC2=CC3=C(C4=C2[C@@H]1CC5=C4C(=C(C=C5)OC)O)OCO3)C.[I-] |
| InChIKey | WLDVNQXUNGUNAF-ZOWNYOTGSA-N |
Product Overview
Bulbocapnine methiodide (CAS 5787-06-4), with molecular formula C20H22INO4 and molecular weight 467.06 g/mol. IUPAC: (12S)-17-methoxy-11,11-dimethyl-3,5-dioxa-11-azoniapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-18-ol iodide.
Chemical Property Profile of Bulbocapnine methiodide
Property Insights of Bulbocapnine methiodide
The XLogP value of 0.0302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bulbocapnine methiodide. With a topological polar surface area (TPSA) of 47.9 Ų, Bulbocapnine methiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bulbocapnine methiodide has 1 hydrogen bond donor(s) and 5 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 Bulbocapnine methiodide?
The CAS number of Bulbocapnine methiodide is 5787-06-4.
What is the molecular formula of Bulbocapnine methiodide?
The molecular formula of Bulbocapnine methiodide is C20H22INO4.
What is the molecular weight of Bulbocapnine methiodide?
The molecular weight of Bulbocapnine methiodide is 467.06 g/mol.
Where can I buy Bulbocapnine methiodide?
You can request a quote for Bulbocapnine methiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bulbocapnine methiodide?
Yes, KEHONG BIO provides custom synthesis services for Bulbocapnine methiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.