17-Hydroxy-4-methyl-1,2-didehydrocura-16,19-dien-4-ium
TL;DR: 17-Hydroxy-4-methyl-1,2-didehydrocura-16,19-dien-4-ium (CAS 6866-93-9) is a chemical compound with molecular formula C20H23N2O+ and molecular weight 307.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11S,17S)-12-ethylidene-14-methyl-8-aza-14-azoniapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carbaldehyde
Also Known As: Fluorocurarine, C-Fluorocurarin, C-Curarine III, C-Fluorocurarine, C-Curarin III
| Molecular Formula | C20H23N2O+ |
|---|---|
| Molecular Weight | 307.18 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 307.18103 |
| Heavy Atoms | 23 |
| Complexity | 636.0 |
Chemical Identifiers
| CAS Number | 6866-93-9 |
|---|---|
| SMILES | CC=C1C[N+]2(CCC34[C@@H]2C[C@@H]1C(=C3NC5=CC=CC=C45)C=O)C |
| InChIKey | ZEMNDQUOMWGCAZ-CVPVZSHVSA-O |
Product Overview
17-Hydroxy-4-methyl-1,2-didehydrocura-16,19-dien-4-ium (CAS 6866-93-9), with molecular formula C20H23N2O+ and molecular weight 307.18 g/mol. IUPAC: (11S,17S)-12-ethylidene-14-methyl-8-aza-14-azoniapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carbaldehyde.
Chemical Property Profile of 17-Hydroxy-4-methyl-1,2-didehydrocura-16,19-dien-4-ium
Property Insights of 17-Hydroxy-4-methyl-1,2-didehydrocura-16,19-dien-4-ium
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17-Hydroxy-4-methyl-1,2-didehydrocura-16,19-dien-4-ium. With a topological polar surface area (TPSA) of 29.1 Ų, 17-Hydroxy-4-methyl-1,2-didehydrocura-16,19-dien-4-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-Hydroxy-4-methyl-1,2-didehydrocura-16,19-dien-4-ium has 1 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 17-Hydroxy-4-methyl-1,2-didehydrocura-16,19-dien-4-ium?
The CAS number of 17-Hydroxy-4-methyl-1,2-didehydrocura-16,19-dien-4-ium is 6866-93-9.
What is the molecular formula of 17-Hydroxy-4-methyl-1,2-didehydrocura-16,19-dien-4-ium?
The molecular formula of 17-Hydroxy-4-methyl-1,2-didehydrocura-16,19-dien-4-ium is C20H23N2O+.
What is the molecular weight of 17-Hydroxy-4-methyl-1,2-didehydrocura-16,19-dien-4-ium?
The molecular weight of 17-Hydroxy-4-methyl-1,2-didehydrocura-16,19-dien-4-ium is 307.18 g/mol.
Where can I buy 17-Hydroxy-4-methyl-1,2-didehydrocura-16,19-dien-4-ium?
You can request a quote for 17-Hydroxy-4-methyl-1,2-didehydrocura-16,19-dien-4-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Hydroxy-4-methyl-1,2-didehydrocura-16,19-dien-4-ium?
Yes, KEHONG BIO provides custom synthesis services for 17-Hydroxy-4-methyl-1,2-didehydrocura-16,19-dien-4-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.