Malun 25
TL;DR: Malun 25 (CAS 79682-28-3) is a chemical compound with molecular formula C56H80ClNNa3O22S2+ and molecular weight 1286.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;4-(chlorosulfamoyl)benzoate;dodecyl sulfate;[(13S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate;(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
Also Known As: Malun 25, trisodium;4-(chlorosulfamoyl)benzoate;dodecyl sulfate;[(13S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate;(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal, D-Glucose, 4-O beta-D-galactopyranosyl-, mixt. with 4-((chloroamino)sulfonyl)benzoic acid disodium salt, (17 beta)-17-hydroxyestra-1,3,5(10)-trien-3-yl benzoate and sodium dodecyl sulfate, D-Glucose, 4-Obeta-D-galactopyranosyl-, mixt. with 4-((chloroamino)sulfonyl)benzoic acid disodium salt, (17beta)-17-hydroxyestra-1,3,5(10)-trien-3-yl benzoate and sodium dodecyl sulfate, trisodium; 4-(chlorosulfamoyl)benzoate; [(13S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate; 1-sulfonatooxydodecane; (2R,3S,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxym
| Molecular Formula | C56H80ClNNa3O22S2+ |
|---|---|
| Molecular Weight | 1286.40 g/mol |
| LogP | -6.5535 |
| Topological Polar Surface Area | 413.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 24 |
| Exact Mass | 1286.3995 |
| Heavy Atoms | 85 |
| Complexity | 1480.0 |
Chemical Identifiers
| CAS Number | 79682-28-3 |
|---|---|
| SMILES | CCCCCCCCCCCCOS(=O)(=O)[O-].C[C@]12CCC3C(C1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5.C1=CC(=CC=C1C(=O)[O-])S(=O)(=O)NCl.C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O)O)O.[Na+].[Na+].[Na+] |
| InChIKey | VTCQNIIPDFYPMZ-NYUBMDMSSA-L |
Product Overview
Malun 25 (CAS 79682-28-3), with molecular formula C56H80ClNNa3O22S2+ and molecular weight 1286.40 g/mol. IUPAC: trisodium;4-(chlorosulfamoyl)benzoate;dodecyl sulfate;[(13S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate;(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal.
Chemical Property Profile of Malun 25
Property Insights of Malun 25
The XLogP value of -6.5535 indicates that Malun 25 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 413.0 Ų indicates high polarity, suggesting Malun 25 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Malun 25 has 10 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Malun 25?
The CAS number of Malun 25 is 79682-28-3.
What is the molecular formula of Malun 25?
The molecular formula of Malun 25 is C56H80ClNNa3O22S2+.
What is the molecular weight of Malun 25?
The molecular weight of Malun 25 is 1286.40 g/mol.
Where can I buy Malun 25?
You can request a quote for Malun 25 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malun 25?
Yes, KEHONG BIO provides custom synthesis services for Malun 25 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.