Acraconitine
TL;DR: Acraconitine (CAS 1369-10-4) is a chemical compound with molecular formula C36H51NO12 and molecular weight 689.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8-acetyloxy-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 3,4-dimethoxybenzoate
Also Known As: Acraconitine, Pseudaconitine, Pseudoaconitine, Feraconitne, Nepaline
| Molecular Formula | C36H51NO12 |
|---|---|
| Molecular Weight | 689.34 g/mol |
| LogP | 1.6945 |
| Topological Polar Surface Area | 151.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 11 |
| Exact Mass | 689.3411 |
| Heavy Atoms | 49 |
| Complexity | 1475.0669 |
Chemical Identifiers
| CAS Number | 1369-10-4 |
|---|---|
| SMILES | CCN1CC2(C(CC(C34C2C(C(C31)C5(CC(C6(CC4C5C6OC(=O)C7=CC(=C(C=C7)OC)OC)O)OC)OC(=O)C)OC)OC)O)COC |
Product Overview
Acraconitine (CAS 1369-10-4), with molecular formula C36H51NO12 and molecular weight 689.34 g/mol. IUPAC: [8-acetyloxy-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 3,4-dimethoxybenzoate.
Chemical Property Profile of Acraconitine
Property Insights of Acraconitine
The XLogP value of 1.6945 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acraconitine. The TPSA of 151.68 Ų indicates high polarity, suggesting Acraconitine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acraconitine has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acraconitine?
The CAS number of Acraconitine is 1369-10-4.
What is the molecular formula of Acraconitine?
The molecular formula of Acraconitine is C36H51NO12.
What is the molecular weight of Acraconitine?
The molecular weight of Acraconitine is 689.34 g/mol.
Where can I buy Acraconitine?
You can request a quote for Acraconitine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acraconitine?
Yes, KEHONG BIO provides custom synthesis services for Acraconitine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.