Crocin
TL;DR: Crocin (CAS 94238-00-3) 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] 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
Also Known As: Crocin, Crocin centn, Saffron, Crocin I, alpha-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 | 94238-00-3 |
|---|---|
| SMILES | CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O |
Product Overview
Crocin (CAS 94238-00-3), 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] 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate.
Chemical Property Profile of Crocin
Property Insights of Crocin
The XLogP value of -5.2252 indicates that Crocin 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 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Crocin 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?
The CAS number of Crocin is 94238-00-3.
What is the molecular formula of Crocin?
The molecular formula of Crocin is C44H64O24.
What is the molecular weight of Crocin?
The molecular weight of Crocin is 976.38 g/mol.
Where can I buy Crocin?
You can request a quote for Crocin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crocin?
Yes, KEHONG BIO provides custom synthesis services for Crocin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.