Contortumine
TL;DR: Contortumine (CAS 131653-96-8) is a chemical compound with molecular formula C30H41NO6 and molecular weight 511.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11-ethyl-8-hydroxy-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl) 4-methoxybenzoate
Also Known As: Contortumine, Tjn 505, (11-ethyl-8-hydroxy-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl) 4-methoxybenzoate, (1alpha,14alpha,16beta)-20-Ethyl-1,16-dimethoxyaconitane-8,13,14-triol 14-(4-methoxybenzoate), 20-Ethyl-1,16-dimethoxyaconitane-8,13,14-triol 14-(4-methoxybenzoate), (1alpha,14alpha,16beta)-
| Molecular Formula | C30H41NO6 |
|---|---|
| Molecular Weight | 511.29 g/mol |
| LogP | 3.3879 |
| Topological Polar Surface Area | 77.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 511.2934 |
| Heavy Atoms | 37 |
| Complexity | 1062.6562 |
Chemical Identifiers
| CAS Number | 131653-96-8 |
|---|---|
| SMILES | CCN1CC2CCC(C34C2CC(C31)C5(CC(C6CC4C5C6OC(=O)C7=CC=C(C=C7)OC)OC)O)OC |
Product Overview
Contortumine (CAS 131653-96-8), with molecular formula C30H41NO6 and molecular weight 511.29 g/mol. IUPAC: (11-ethyl-8-hydroxy-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl) 4-methoxybenzoate.
Chemical Property Profile of Contortumine
Property Insights of Contortumine
The XLogP value of 3.3879 indicates that Contortumine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Contortumine. Following Lipinski's Rule of Five, Contortumine has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Contortumine?
The CAS number of Contortumine is 131653-96-8.
What is the molecular formula of Contortumine?
The molecular formula of Contortumine is C30H41NO6.
What is the molecular weight of Contortumine?
The molecular weight of Contortumine is 511.29 g/mol.
Where can I buy Contortumine?
You can request a quote for Contortumine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Contortumine?
Yes, KEHONG BIO provides custom synthesis services for Contortumine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.