酸性茜素紫R
TL;DR: 酸性茜素紫R (CAS 3443-92-3) is a chemical compound with molecular formula C21H15NO6S and molecular weight 409.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
酸性茜素紫R
2-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]-5-methylbenzenesulfonic acid
Also Known As: Acid Alizarine Violet R, ACID VIOLET 43, Benzenesulfonic acid, 2-[(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)amino]-5-methyl-, 2-[(4-Hydroxy-1-anthraquinonyl)amino]-5-methylbenzenesulfonic acid, 2-[(4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-5-methylbenzene-1-sulfonic acid
| Molecular Formula | C21H15NO6S |
|---|---|
| Molecular Weight | 409.06 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.062 |
| Heavy Atoms | 29 |
| Complexity | 762.0 |
Chemical Identifiers
| CAS Number | 3443-92-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)O |
| InChIKey | XXQVCGHGQCAKKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
酸性茜素紫R (CAS 3443-92-3), with molecular formula C21H15NO6S and molecular weight 409.06 g/mol. IUPAC: 2-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]-5-methylbenzenesulfonic acid.
Chemical Property Profile of 酸性茜素紫R
Property Insights of 酸性茜素紫R
The XLogP value of 4.3 indicates that 酸性茜素紫R is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 酸性茜素紫R. Following Lipinski's Rule of Five, 酸性茜素紫R has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 酸性茜素紫R?
The CAS number of 酸性茜素紫R is 3443-92-3.
What is the molecular formula of 酸性茜素紫R?
The molecular formula of 酸性茜素紫R is C21H15NO6S.
What is the molecular weight of 酸性茜素紫R?
The molecular weight of 酸性茜素紫R is 409.06 g/mol.
Where can I buy 酸性茜素紫R?
You can request a quote for 酸性茜素紫R directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 酸性茜素紫R?
Yes, KEHONG BIO provides custom synthesis services for 酸性茜素紫R and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.