Datiscin
TL;DR: Datiscin (CAS 16310-92-2) is a chemical compound with molecular formula C27H30O15 and molecular weight 594.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dihydroxy-2-(2-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
Also Known As: Datiscin, Dehydroaripiprazole, Datiscetin-3-O-rutinoside, 5,7-dihydroxy-2-(2-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one, DATISCETIN-3-O-RUTINOSIDE;DATISCIN;DATISCOSIDE;DATISTIN;DATICOSIDE
| Molecular Formula | C27H30O15 |
|---|---|
| Molecular Weight | 594.16 g/mol |
| LogP | -1.3927 |
| Topological Polar Surface Area | 249.2 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 6 |
| Exact Mass | 594.15845 |
| Heavy Atoms | 42 |
| Complexity | 1490.3672 |
Chemical Identifiers
| CAS Number | 16310-92-2 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=CC=C5O)O)O)O)O)O)O |
Product Overview
Datiscin (CAS 16310-92-2), with molecular formula C27H30O15 and molecular weight 594.16 g/mol. IUPAC: 5,7-dihydroxy-2-(2-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one.
Chemical Property Profile of Datiscin
Property Insights of Datiscin
The XLogP value of -1.3927 indicates that Datiscin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 249.2 Ų indicates high polarity, suggesting Datiscin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Datiscin has 9 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Datiscin?
The CAS number of Datiscin is 16310-92-2.
What is the molecular formula of Datiscin?
The molecular formula of Datiscin is C27H30O15.
What is the molecular weight of Datiscin?
The molecular weight of Datiscin is 594.16 g/mol.
Where can I buy Datiscin?
You can request a quote for Datiscin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Datiscin?
Yes, KEHONG BIO provides custom synthesis services for Datiscin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.