Puberanidine
TL;DR: Puberanidine (CAS 83685-20-5) is a chemical compound with molecular formula C32H44N2O9 and molecular weight 600.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,4S,6S,8S,13S,16R,17S)-11-ethyl-3,8,9-trihydroxy-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: Puberanidine, Deacetyllappoconitine, Aconitane-4,7,8,9-tetrol, 20-ethyl-1,14,16-trimethoxy-, 4-(2-(acetylamino)benzoate), (1beta,14alpha,16beta)-
| Molecular Formula | C32H44N2O9 |
|---|---|
| Molecular Weight | 600.30 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 600.3047 |
| Heavy Atoms | 43 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 83685-20-5 |
|---|---|
| SMILES | CCN1C[C@@]2(CC[C@H](C34[C@@H]2CC(C31)([C@]5(C[C@@H](C6CC4[C@@]5([C@H]6OC)O)OC)O)O)OC)OC(=O)C7=CC=CC=C7NC(=O)C |
| InChIKey | XTSVKUJYTUPYRJ-VXTWWHBJSA-N |
Product Overview
Puberanidine (CAS 83685-20-5), with molecular formula C32H44N2O9 and molecular weight 600.30 g/mol. IUPAC: [(3S,4S,6S,8S,13S,16R,17S)-11-ethyl-3,8,9-trihydroxy-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 Puberanidine
Property Insights of Puberanidine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Puberanidine. The TPSA of 147.0 Ų indicates high polarity, suggesting Puberanidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Puberanidine has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Puberanidine?
The CAS number of Puberanidine is 83685-20-5.
What is the molecular formula of Puberanidine?
The molecular formula of Puberanidine is C32H44N2O9.
What is the molecular weight of Puberanidine?
The molecular weight of Puberanidine is 600.30 g/mol.
Where can I buy Puberanidine?
You can request a quote for Puberanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Puberanidine?
Yes, KEHONG BIO provides custom synthesis services for Puberanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.