Isoraunescine
TL;DR: Isoraunescine (CAS 483-07-8) is a chemical compound with molecular formula C31H36N2O8 and molecular weight 564.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,15S,17R,18R,19S,20S)-17-hydroxy-18-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Also Known As: ISORAUNESCINE, Isoraunescin, Indole alkaloid, methyl hydroxy-(3,4,5-trimethoxybenzoyl)oxy-[?]carboxylate, Yohimban-16-carboxylic acid, 18-hydroxy-17-((3,4,5-trimethoxybenzoyl)oxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-
| Molecular Formula | C31H36N2O8 |
|---|---|
| Molecular Weight | 564.25 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 564.2472 |
| Heavy Atoms | 41 |
| Complexity | 937.0 |
Chemical Identifiers
| CAS Number | 483-07-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)O[C@H]2[C@@H](C[C@@H]3CN4CCC5=C([C@H]4C[C@@H]3[C@@H]2C(=O)OC)NC6=CC=CC=C56)O |
| InChIKey | ULKKVMYTACUXQA-UTYXIPFNSA-N |
Product Overview
Isoraunescine (CAS 483-07-8), with molecular formula C31H36N2O8 and molecular weight 564.25 g/mol. IUPAC: methyl (1R,15S,17R,18R,19S,20S)-17-hydroxy-18-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate.
Chemical Property Profile of Isoraunescine
Property Insights of Isoraunescine
The XLogP value of 3.6 indicates that Isoraunescine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoraunescine. Following Lipinski's Rule of Five, Isoraunescine has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoraunescine?
The CAS number of Isoraunescine is 483-07-8.
What is the molecular formula of Isoraunescine?
The molecular formula of Isoraunescine is C31H36N2O8.
What is the molecular weight of Isoraunescine?
The molecular weight of Isoraunescine is 564.25 g/mol.
Where can I buy Isoraunescine?
You can request a quote for Isoraunescine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoraunescine?
Yes, KEHONG BIO provides custom synthesis services for Isoraunescine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.