番红花苷
TL;DR: 番红花苷 (CAS 11012-59-2) is a chemical compound with molecular formula C44H64O24 and molecular weight 976.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
番红花苷
bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
Also Known As: Crocin, Gardenia Yellow, Crocin I, alpha-Crocin, Crocine
| Molecular Formula | C44H64O24 |
|---|---|
| Molecular Weight | 976.38 g/mol |
| LogP | -5.2252 |
| Topological Polar Surface Area | 391.2 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 18 |
| Exact Mass | 976.3787 |
| Heavy Atoms | 68 |
| Complexity | 1728.4502 |
Chemical Identifiers
| CAS Number | 11012-59-2 |
|---|---|
| SMILES | C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)/C)/C)/C=C/C=C(/C(=O)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO)\C |
Product Overview
番红花苷 (CAS 11012-59-2), with molecular formula C44H64O24 and molecular weight 976.38 g/mol. IUPAC: bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate.
Chemical Property Profile of 番红花苷
Property Insights of 番红花苷
The XLogP value of -5.2252 indicates that 番红花苷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 391.2 Ų indicates high polarity, suggesting 番红花苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 番红花苷 has 14 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 番红花苷?
The CAS number of 番红花苷 is 11012-59-2.
What is the molecular formula of 番红花苷?
The molecular formula of 番红花苷 is C44H64O24.
What is the molecular weight of 番红花苷?
The molecular weight of 番红花苷 is 976.38 g/mol.
Where can I buy 番红花苷?
You can request a quote for 番红花苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 番红花苷?
Yes, KEHONG BIO provides custom synthesis services for 番红花苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.