胭脂红酸
TL;DR: 胭脂红酸 (CAS 1260-17-9) is a chemical compound with molecular formula C22H20O13 and molecular weight 492.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
胭脂红酸
3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylic acid
Also Known As: Natural red 4, 3,5,6,8-Tetrahydroxy-1-methyl-9,10-dioxo-7-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-9,10-dihydroanthracene-2-carboxylic acid, 3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylic acid
| Molecular Formula | C22H20O13 |
|---|---|
| Molecular Weight | 492.09 g/mol |
| LogP | -1.19408 |
| Topological Polar Surface Area | 242.51 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 3 |
| Exact Mass | 492.0904 |
| Heavy Atoms | 35 |
| Complexity | 1295.476 |
Chemical Identifiers
| CAS Number | 1260-17-9 |
|---|---|
| SMILES | CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=C(C(=C3O)O)[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O |
Product Overview
胭脂红酸 (CAS 1260-17-9), with molecular formula C22H20O13 and molecular weight 492.09 g/mol. IUPAC: 3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylic acid.
Chemical Property Profile of 胭脂红酸
Property Insights of 胭脂红酸
The XLogP value of -1.19408 indicates that 胭脂红酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 242.51 Ų indicates high polarity, suggesting 胭脂红酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 胭脂红酸 has 9 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 胭脂红酸?
The CAS number of 胭脂红酸 is 1260-17-9.
What is the molecular formula of 胭脂红酸?
The molecular formula of 胭脂红酸 is C22H20O13.
What is the molecular weight of 胭脂红酸?
The molecular weight of 胭脂红酸 is 492.09 g/mol.
Where can I buy 胭脂红酸?
You can request a quote for 胭脂红酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 胭脂红酸?
Yes, KEHONG BIO provides custom synthesis services for 胭脂红酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.