高乌甲素
TL;DR: 高乌甲素 (CAS 32854-75-4) is a chemical compound with molecular formula C32H44N2O8 and molecular weight 584.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
高乌甲素
(11-ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl) 2-acetamidobenzoate
Also Known As: lappaconitine, Lannaconitine, (+)-Lappaconitine, Allapinin, lappaconitine [M+H]+
| Molecular Formula | C32H44N2O8 |
|---|---|
| Molecular Weight | 584.31 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 584.30975 |
| Heavy Atoms | 42 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 32854-75-4 |
|---|---|
| SMILES | CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5(C6OC)O)OC)O)OC)OC(=O)C7=CC=CC=C7NC(=O)C |
| InChIKey | NWBWCXBPKTTZNQ-UHFFFAOYSA-N |
Product Overview
高乌甲素 (CAS 32854-75-4), with molecular formula C32H44N2O8 and molecular weight 584.31 g/mol. IUPAC: (11-ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl) 2-acetamidobenzoate.
Chemical Property Profile of 高乌甲素
Property Insights of 高乌甲素
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 高乌甲素. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 高乌甲素. Following Lipinski's Rule of Five, lappaconitine has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of lappaconitine?
The CAS number of lappaconitine is 32854-75-4.
What is the molecular formula of lappaconitine?
The molecular formula of lappaconitine is C32H44N2O8.
What is the molecular weight of lappaconitine?
The molecular weight of lappaconitine is 584.31 g/mol.
Where can I buy lappaconitine?
You can request a quote for lappaconitine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for lappaconitine?
Yes, KEHONG BIO provides custom synthesis services for lappaconitine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.