Isospiropachysine
TL;DR: Isospiropachysine (CAS 19587-41-8) is a chemical compound with molecular formula C31H46N2O and molecular weight 462.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-[1-(dimethylamino)ethyl]-2',10,13-trimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-isoindole]-1'-one
Also Known As: Spiropachysine, Isospiropachysine, (3R,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-2',10,13-trimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-isoindole]-1'-one, 17-[1-(dimethylamino)ethyl]-2',10,13-trimethyl-spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-isoindoline]-1'-one, 17-[1-(dimethylamino)ethyl]-2',10,13-trimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-isoindole]-1'-one
| Molecular Formula | C31H46N2O |
|---|---|
| Molecular Weight | 462.36 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 462.36102 |
| Heavy Atoms | 34 |
| Complexity | 824.0 |
Chemical Identifiers
| CAS Number | 19587-41-8 |
|---|---|
| SMILES | CC(C1CCC2C1(CCC3C2CCC4C3(CCC5(C4)C6=CC=CC=C6C(=O)N5C)C)C)N(C)C |
| InChIKey | SLGWGPQWJRVPAD-UHFFFAOYSA-N |
Product Overview
Isospiropachysine (CAS 19587-41-8), with molecular formula C31H46N2O and molecular weight 462.36 g/mol. IUPAC: 17-[1-(dimethylamino)ethyl]-2',10,13-trimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-isoindole]-1'-one.
Chemical Property Profile of Isospiropachysine
Property Insights of Isospiropachysine
The XLogP value of 7.1 indicates that Isospiropachysine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, Isospiropachysine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isospiropachysine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isospiropachysine?
The CAS number of Isospiropachysine is 19587-41-8.
What is the molecular formula of Isospiropachysine?
The molecular formula of Isospiropachysine is C31H46N2O.
What is the molecular weight of Isospiropachysine?
The molecular weight of Isospiropachysine is 462.36 g/mol.
Where can I buy Isospiropachysine?
You can request a quote for Isospiropachysine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isospiropachysine?
Yes, KEHONG BIO provides custom synthesis services for Isospiropachysine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.