Khasianine
TL;DR: Khasianine (CAS 32449-98-2) is a chemical compound with molecular formula C39H63NO11 and molecular weight 721.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: Khasianine, KST-1A3892, L-Rhamnopyranosyl-14-D-glucopyranose solasodine, (3, A,25r)-spirosol-5-en-3-yl 4-o-(6-deoxy-
| Molecular Formula | C39H63NO11 |
|---|---|
| Molecular Weight | 721.44 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 721.4401 |
| Heavy Atoms | 51 |
| Complexity | 1320.0 |
Chemical Identifiers
| CAS Number | 32449-98-2 |
|---|---|
| SMILES | C[C@@H]1CCC2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C)O)O)O)O)O)C)C)C)NC1 |
| InChIKey | KRQDMAXNTWLTDZ-FXQMNGNYSA-N |
Product Overview
Khasianine (CAS 32449-98-2), with molecular formula C39H63NO11 and molecular weight 721.44 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
Chemical Property Profile of Khasianine
Property Insights of Khasianine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Khasianine. The TPSA of 180.0 Ų indicates high polarity, suggesting Khasianine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Khasianine has 7 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 Khasianine?
The CAS number of Khasianine is 32449-98-2.
What is the molecular formula of Khasianine?
The molecular formula of Khasianine is C39H63NO11.
What is the molecular weight of Khasianine?
The molecular weight of Khasianine is 721.44 g/mol.
Where can I buy Khasianine?
You can request a quote for Khasianine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Khasianine?
Yes, KEHONG BIO provides custom synthesis services for Khasianine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.