Solasurine
TL;DR: Solasurine (CAS 27028-76-8) 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.
(2R,3R,4S,5S,6R)-6-[[(2S,3S,4R,5R,6R)-3,5-dihydroxy-2-methyl-6-[(1S,2S,4S,5'R,6R,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-4-yl]oxymethyl]oxane-2,3,4,5-tetrol
Also Known As: Solasurine, HY-N2355, (2R,3R,4S,5S,6R)-6-[[(2S,3S,4R,5R,6R)-3,5-dihydroxy-2-methyl-6-[(1S,2S,4S,5'R,6R,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-4-yl]oxymethyl]oxane-2,3,4,5-tetrol, (3beta,22alpha,25R)-Spirosol-5-en-3-yl 6-deoxy-O-beta-D-glucopyranosyl-alpha-L-mannopyranoside
| 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 | 27028-76-8 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2([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)C)O)OC[C@@H]8[C@H]([C@@H]([C@H]([C@@H](O8)O)O)O)O)O)C)C)C)NC1 |
| InChIKey | SGEKLQMLYWFVFY-VAVRQHLYSA-N |
Product Overview
Solasurine (CAS 27028-76-8), with molecular formula C39H63NO11 and molecular weight 721.44 g/mol. IUPAC: (2R,3R,4S,5S,6R)-6-[[(2S,3S,4R,5R,6R)-3,5-dihydroxy-2-methyl-6-[(1S,2S,4S,5'R,6R,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-4-yl]oxymethyl]oxane-2,3,4,5-tetrol.
Chemical Property Profile of Solasurine
Property Insights of Solasurine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Solasurine. The TPSA of 180.0 Ų indicates high polarity, suggesting Solasurine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Solasurine 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 Solasurine?
The CAS number of Solasurine is 27028-76-8.
What is the molecular formula of Solasurine?
The molecular formula of Solasurine is C39H63NO11.
What is the molecular weight of Solasurine?
The molecular weight of Solasurine is 721.44 g/mol.
Where can I buy Solasurine?
You can request a quote for Solasurine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Solasurine?
Yes, KEHONG BIO provides custom synthesis services for Solasurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.