RefChem:564132
TL;DR: RefChem:564132 (CAS 67893-47-4) is a chemical compound with molecular formula C22H18N2O5S and molecular weight 422.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-[[4-(methylamino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonic acid
Also Known As: Alizarine Turquoise Blue B, Benzenesulfonic acid, 2-[[9,10-dihydro-4-(methylamino)-9,10-dioxo-1-anthracenyl]amino]-5-methyl-, m-Toluenesulfonic acid, 6-((4-(methylamino)-1-anthraquinonyl)amino)-, Benzenesulfonic acid, 2-((9,10-dihydro-4-(methylamino)-9,10-dioxo-1-anthracenyl)amino)-5-methyl-, 2-[[4-(Methylamino)-1-anthraquinonyl]amino]-5-methylbenzenesulfonic acid
| Molecular Formula | C22H18N2O5S |
|---|---|
| Molecular Weight | 422.09 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.09363 |
| Heavy Atoms | 30 |
| Complexity | 779.0 |
Chemical Identifiers
| CAS Number | 67893-47-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)NC)C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)O |
| InChIKey | XPKVNPZDTLYFGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:564132 (CAS 67893-47-4), with molecular formula C22H18N2O5S and molecular weight 422.09 g/mol. IUPAC: 5-methyl-2-[[4-(methylamino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonic acid.
Chemical Property Profile of RefChem:564132
Property Insights of RefChem:564132
The XLogP value of 4.6 indicates that RefChem:564132 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:564132. Following Lipinski's Rule of Five, RefChem:564132 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 RefChem:564132?
The CAS number of RefChem:564132 is 67893-47-4.
What is the molecular formula of RefChem:564132?
The molecular formula of RefChem:564132 is C22H18N2O5S.
What is the molecular weight of RefChem:564132?
The molecular weight of RefChem:564132 is 422.09 g/mol.
Where can I buy RefChem:564132?
You can request a quote for RefChem:564132 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:564132?
Yes, KEHONG BIO provides custom synthesis services for RefChem:564132 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.