![Crocin I [M+H]+ structure](/static/products/394/39465-00-4.png)
Crocin I [M+H]+
TL;DR: Crocin I [M+H]+ (CAS 39465-00-4) 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.
bis[3,4,5-trihydroxy-6-[[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, alpha-Crocin, Crocin?I, ?-Crocin
| 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 | 39465-00-4 |
|---|---|
| SMILES | C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)OC1OC(C(C(C1O)O)O)COC2OC(C(C(C2O)O)O)CO)/C)/C)/C=C/C=C(/C(=O)OC3OC(C(C(C3O)O)O)COC4OC(C(C(C4O)O)O)CO)\C |
Product Overview
Crocin I [M+H]+ (CAS 39465-00-4), with molecular formula C44H64O24 and molecular weight 976.38 g/mol. IUPAC: bis[3,4,5-trihydroxy-6-[[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 Crocin I [M+H]+
Property Insights of Crocin I [M+H]+
The XLogP value of -5.2252 indicates that Crocin I [M+H]+ is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 391.2 Ų indicates high polarity, suggesting Crocin I [M+H]+ may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Crocin I [M+H]+ 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 Crocin I [M+H]+?
The CAS number of Crocin I [M+H]+ is 39465-00-4.
What is the molecular formula of Crocin I [M+H]+?
The molecular formula of Crocin I [M+H]+ is C44H64O24.
What is the molecular weight of Crocin I [M+H]+?
The molecular weight of Crocin I [M+H]+ is 976.38 g/mol.
Where can I buy Crocin I [M+H]+?
You can request a quote for Crocin I [M+H]+ directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crocin I [M+H]+?
Yes, KEHONG BIO provides custom synthesis services for Crocin I [M+H]+ and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.