Falaconitine
TL;DR: Falaconitine (CAS 62926-57-2) 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,3S,4R,5S,6S,9R,13R,14R,16S,17S,18R)-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadec-7-en-4-yl] 3,4-dimethoxybenzoate
Also Known As: FALACONITINE, [(1S,2R,3S,4R,5S,6S,9R,13R,14R,16S,17S,18R)-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadec-7-en-4-yl] 3,4-dimethoxybenzoate, (17xi)-20-Ethyl-3alpha,13-dihydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconit-8(15)-en-14alpha-yl 3,4-dimethoxybenzoate, (1S,2R,3S,4R,5R,6S,9R,10R,13R,14R,16S,17S,18S)-11-Ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo(7.7.2.1,.0,.0,.0,)nonadec-7-en-4-yl 3,4-dimethoxybenzoic acid, (1S,2R,3S,4R,5R,6S,9R,10R,13R,14R,16S,17S,18S)-11-Ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1,.0,.0,.0,]nonadec-7-en-4-yl 3,4-dimethoxybenzoic acid
| Molecular Formula | C34H47NO10 |
|---|---|
| Molecular Weight | 629.32 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 125.0 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 | 62926-57-2 |
|---|---|
| SMILES | CCN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)C5=C[C@@H]([C@]6(C[C@@H]4[C@@H]5[C@H]6OC(=O)C7=CC(=C(C=C7)OC)OC)O)OC)OC)OC)O)COC |
| InChIKey | AWCSAXLOUNZFKK-TUCMIPCLSA-N |
Product Overview
Falaconitine (CAS 62926-57-2), with molecular formula C34H47NO10 and molecular weight 629.32 g/mol. IUPAC: [(1S,2R,3S,4R,5S,6S,9R,13R,14R,16S,17S,18R)-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadec-7-en-4-yl] 3,4-dimethoxybenzoate.
Chemical Property Profile of Falaconitine
Property Insights of Falaconitine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Falaconitine. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Falaconitine. Following Lipinski's Rule of Five, Falaconitine 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 Falaconitine?
The CAS number of Falaconitine is 62926-57-2.
What is the molecular formula of Falaconitine?
The molecular formula of Falaconitine is C34H47NO10.
What is the molecular weight of Falaconitine?
The molecular weight of Falaconitine is 629.32 g/mol.
Where can I buy Falaconitine?
You can request a quote for Falaconitine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Falaconitine?
Yes, KEHONG BIO provides custom synthesis services for Falaconitine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.