Puberaconitine
TL;DR: Puberaconitine (CAS 69787-06-0) is a chemical compound with molecular formula C36H50N2O11 and molecular weight 686.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[[(2R,3R,4S,6S,8R,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methoxycarbonyl]anilino]-4-oxobutanoic acid
Also Known As: Puberaconitine, Aconitane-7,8-diol, 4-(((2-((3-carboxy-1-oxopropyl)amino)benzoyl)oxy)methyl)-20-ethyl-1,6,14,16-tetramethoxy-, (1alpha,6beta,14alpha,16beta)-
| Molecular Formula | C36H50N2O11 |
|---|---|
| Molecular Weight | 686.34 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 173.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 686.34143 |
| Heavy Atoms | 49 |
| Complexity | 1320.0 |
Chemical Identifiers
| CAS Number | 69787-06-0 |
|---|---|
| SMILES | CCN1C[C@@]2(CC[C@@H](C34[C@@H]2[C@@H](C(C31)([C@]5(C[C@@H](C6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7NC(=O)CCC(=O)O |
| InChIKey | CBLCGZHNLSSEEU-PKCJHRHRSA-N |
Product Overview
Puberaconitine (CAS 69787-06-0), with molecular formula C36H50N2O11 and molecular weight 686.34 g/mol. IUPAC: 4-[2-[[(2R,3R,4S,6S,8R,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methoxycarbonyl]anilino]-4-oxobutanoic acid.
Chemical Property Profile of Puberaconitine
Property Insights of Puberaconitine
The XLogP value of -1.5 indicates that Puberaconitine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 173.0 Ų indicates high polarity, suggesting Puberaconitine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Puberaconitine has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Puberaconitine?
The CAS number of Puberaconitine is 69787-06-0.
What is the molecular formula of Puberaconitine?
The molecular formula of Puberaconitine is C36H50N2O11.
What is the molecular weight of Puberaconitine?
The molecular weight of Puberaconitine is 686.34 g/mol.
Where can I buy Puberaconitine?
You can request a quote for Puberaconitine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Puberaconitine?
Yes, KEHONG BIO provides custom synthesis services for Puberaconitine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.