Safflor Yellow A
TL;DR: Safflor Yellow A (CAS 85532-77-0) 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.
3,4,6,9-tetrahydroxy-2-(hydroxymethyl)-8-[3-(4-hydroxyphenyl)prop-2-enoyl]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4,4a,9b-tetrahydro-2H-pyrano[3,2-b][1]benzofuran-7-one
Also Known As: Safflor Yellow A
| Molecular Formula | C27H30O15 |
|---|---|
| Molecular Weight | 594.16 g/mol |
| LogP | -3.9228 |
| Topological Polar Surface Area | 264.13 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 6 |
| Exact Mass | 594.15845 |
| Heavy Atoms | 42 |
| Complexity | 1333.2402 |
Chemical Identifiers
| CAS Number | 85532-77-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C=CC(=O)C2=C(C3=C(C(C2=O)([C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)OC5C3OC(C(C5O)O)CO)O)O |
Product Overview
Safflor Yellow A (CAS 85532-77-0), with molecular formula C27H30O15 and molecular weight 594.16 g/mol. IUPAC: 3,4,6,9-tetrahydroxy-2-(hydroxymethyl)-8-[3-(4-hydroxyphenyl)prop-2-enoyl]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4,4a,9b-tetrahydro-2H-pyrano[3,2-b][1]benzofuran-7-one.
Chemical Property Profile of Safflor Yellow A
Property Insights of Safflor Yellow A
The XLogP value of -3.9228 indicates that Safflor Yellow A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 264.13 Ų indicates high polarity, suggesting Safflor Yellow A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Safflor Yellow A has 10 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 Safflor Yellow A?
The CAS number of Safflor Yellow A is 85532-77-0.
What is the molecular formula of Safflor Yellow A?
The molecular formula of Safflor Yellow A is C27H30O15.
What is the molecular weight of Safflor Yellow A?
The molecular weight of Safflor Yellow A is 594.16 g/mol.
Where can I buy Safflor Yellow A?
You can request a quote for Safflor Yellow A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Safflor Yellow A?
Yes, KEHONG BIO provides custom synthesis services for Safflor Yellow A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.