藜芦碱
TL;DR: 藜芦碱 (CAS 71-62-5) is a chemical compound with molecular formula C36H51NO11 and molecular weight 673.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
藜芦碱
(1,10,11,12,14,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl) 3,4-dimethoxybenzoate
Also Known As: veratridine, veratrine, 3-Veratroylveracevine, Veratrine (amorphous), Veratrine (amorphous) (VAN)
| Molecular Formula | C36H51NO11 |
|---|---|
| Molecular Weight | 673.35 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 179.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 673.3462 |
| Heavy Atoms | 48 |
| Complexity | 1340.0 |
Chemical Identifiers
| CAS Number | 71-62-5 |
|---|---|
| SMILES | CC1CCC2C(C3(C(CC4(C5CCC6C7(C5(CC4(C3CN2C1)O)OC6(C(CC7)OC(=O)C8=CC(=C(C=C8)OC)OC)O)C)O)O)O)(C)O |
| InChIKey | FVECELJHCSPHKY-UHFFFAOYSA-N |
Product Overview
藜芦碱 (CAS 71-62-5), with molecular formula C36H51NO11 and molecular weight 673.35 g/mol. IUPAC: (1,10,11,12,14,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl) 3,4-dimethoxybenzoate.
Chemical Property Profile of 藜芦碱
Property Insights of 藜芦碱
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 藜芦碱. The TPSA of 179.0 Ų indicates high polarity, suggesting 藜芦碱 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 藜芦碱 has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 藜芦碱?
The CAS number of 藜芦碱 is 71-62-5.
What is the molecular formula of 藜芦碱?
The molecular formula of 藜芦碱 is C36H51NO11.
What is the molecular weight of 藜芦碱?
The molecular weight of 藜芦碱 is 673.35 g/mol.
Where can I buy 藜芦碱?
You can request a quote for 藜芦碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 藜芦碱?
Yes, KEHONG BIO provides custom synthesis services for 藜芦碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.