胭脂红
TL;DR: 胭脂红 (CAS 1390-65-4) 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
3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylic acid
Also Known As: Carmine, CARMINIC ACID, Carmine Red, Coccinellin, Cochineal
| Molecular Formula | C22H20O13 |
|---|---|
| Molecular Weight | 492.09 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 243.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 3 |
| Exact Mass | 492.0904 |
| Heavy Atoms | 35 |
| Complexity | 864.0 |
Chemical Identifiers
| CAS Number | 1390-65-4 |
|---|---|
| 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 |
| InChIKey | DGQLVPJVXFOQEV-NGOCYOHBSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
胭脂红 (CAS 1390-65-4), with molecular formula C22H20O13 and molecular weight 492.09 g/mol. IUPAC: 3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylic acid.
Chemical Property Profile of 胭脂红
Property Insights of 胭脂红
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 胭脂红. The TPSA of 243.0 Ų indicates high polarity, suggesting 胭脂红 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 胭脂红 has 9 hydrogen bond donor(s) and 13 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?
The CAS number of 胭脂红 is 1390-65-4.
What is the molecular formula of 胭脂红?
The molecular formula of 胭脂红 is C22H20O13.
What is the molecular weight of 胭脂红?
The molecular weight of 胭脂红 is 492.09 g/mol.
Where can I buy 胭脂红?
You can request a quote for 胭脂红 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?
Yes, KEHONG BIO provides custom synthesis services for 胭脂红 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.