Indaconitine
TL;DR: Indaconitine (CAS 4491-19-4) is a chemical compound with molecular formula C34H47NO10 and molecular weight 629.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,3R,4R,5S,6S,8R,9R,13R,14R,16S,17S,18R)-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] benzoate
Also Known As: Indaconitine, Indaconitone, 15-Deoxyaconitine, Acetylbenzoylpseudaconine, Acetylbenzoylpseudoaconine
| Molecular Formula | C34H47NO10 |
|---|---|
| Molecular Weight | 629.32 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 629.32 |
| Heavy Atoms | 45 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 4491-19-4 |
|---|---|
| SMILES | CCN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@]5(C[C@@H]([C@]6(C[C@@H]4[C@@H]5[C@H]6OC(=O)C7=CC=CC=C7)O)OC)OC(=O)C)OC)OC)O)COC |
| InChIKey | PHDZNMWTZQPAEW-ZIVNFORMSA-N |
Product Overview
Indaconitine (CAS 4491-19-4), with molecular formula C34H47NO10 and molecular weight 629.32 g/mol. IUPAC: [(1S,2R,3R,4R,5S,6S,8R,9R,13R,14R,16S,17S,18R)-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] benzoate.
Chemical Property Profile of Indaconitine
Property Insights of Indaconitine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indaconitine. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Indaconitine. Following Lipinski's Rule of Five, Indaconitine has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Indaconitine?
The CAS number of Indaconitine is 4491-19-4.
What is the molecular formula of Indaconitine?
The molecular formula of Indaconitine is C34H47NO10.
What is the molecular weight of Indaconitine?
The molecular weight of Indaconitine is 629.32 g/mol.
Where can I buy Indaconitine?
You can request a quote for Indaconitine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indaconitine?
Yes, KEHONG BIO provides custom synthesis services for Indaconitine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.