Verticillatine
TL;DR: Verticillatine (CAS 10247-54-8) is a chemical compound with molecular formula C20H25N2O3+ and molecular weight 341.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,21-dimethyl-18-oxa-11-aza-1-azoniahexacyclo[11.8.0.02,16.04,12.05,10.015,20]henicosa-4(12),5(10),6,8-tetraene-7,17-diol
Also Known As: Verticillatine, Verticillatine (Rauwolfia), 10,17-Dihydroxy-4,21-dimethyl-5,16-cyclo-18-oxayohimban-4-ium, 18-Norsarpaganium, 17,19-epoxy-19,20-dihydro-10,17-dihydroxy-4,21-dimethyl-, (20beta)-, RefChem:194127
| Molecular Formula | C20H25N2O3+ |
|---|---|
| Molecular Weight | 341.19 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 341.18652 |
| Heavy Atoms | 25 |
| Complexity | 587.0 |
Chemical Identifiers
| CAS Number | 10247-54-8 |
|---|---|
| SMILES | CC1C2COC(C3C2CC4[N+]1(C3CC5=C4NC6=C5C=C(C=C6)O)C)O |
| InChIKey | FJKICKPAGXMAIN-UHFFFAOYSA-O |
Product Overview
Verticillatine (CAS 10247-54-8), with molecular formula C20H25N2O3+ and molecular weight 341.19 g/mol. IUPAC: 1,21-dimethyl-18-oxa-11-aza-1-azoniahexacyclo[11.8.0.02,16.04,12.05,10.015,20]henicosa-4(12),5(10),6,8-tetraene-7,17-diol.
Chemical Property Profile of Verticillatine
Property Insights of Verticillatine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Verticillatine. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Verticillatine. Following Lipinski's Rule of Five, Verticillatine has 3 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 Verticillatine?
The CAS number of Verticillatine is 10247-54-8.
What is the molecular formula of Verticillatine?
The molecular formula of Verticillatine is C20H25N2O3+.
What is the molecular weight of Verticillatine?
The molecular weight of Verticillatine is 341.19 g/mol.
Where can I buy Verticillatine?
You can request a quote for Verticillatine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Verticillatine?
Yes, KEHONG BIO provides custom synthesis services for Verticillatine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.