Einecs 255-532-8
TL;DR: Einecs 255-532-8 (CAS 41753-43-9) is a chemical compound with molecular formula C54H92O23 and molecular weight 1108.60 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Ginsenoside rb1, Gynosaponin C, Arasaponin E1, Gypenoside III, Panax saponin E
| Molecular Formula | C54H92O23 |
|---|---|
| Molecular Weight | 1108.60 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 377.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 16 |
| Exact Mass | 1108.6029 |
| Heavy Atoms | 77 |
| Complexity | 2000.0 |
Chemical Identifiers
| CAS Number | 41753-43-9 |
|---|---|
| SMILES | CC(=CCCC(C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)COC8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)C |
| InChIKey | GZYPWOGIYAIIPV-NGBMAODDSA-N |
Product Overview
Einecs 255-532-8 (CAS 41753-43-9), with molecular formula C54H92O23 and molecular weight 1108.60 g/mol. IUPAC: (3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Einecs 255-532-8
Property Insights of Einecs 255-532-8
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 255-532-8. The TPSA of 377.0 Ų indicates high polarity, suggesting Einecs 255-532-8 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 255-532-8 has 15 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 Einecs 255-532-8?
The CAS number of Einecs 255-532-8 is 41753-43-9.
What is the molecular formula of Einecs 255-532-8?
The molecular formula of Einecs 255-532-8 is C54H92O23.
What is the molecular weight of Einecs 255-532-8?
The molecular weight of Einecs 255-532-8 is 1108.60 g/mol.
Where can I buy Einecs 255-532-8?
You can request a quote for Einecs 255-532-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 255-532-8?
Yes, KEHONG BIO provides custom synthesis services for Einecs 255-532-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.