RefChem:465307
TL;DR: RefChem:465307 (CAS 34114-36-8) is a chemical compound with molecular formula C21H16N2O5S and molecular weight 408.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4-(2-methylanilino)-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[(2-methylphenyl)amino]-9,10-dioxo-, 1-Amino-9,10-dihydro-9,10-dioxo-4-o-toluidinoanthracene-2-sulphonic acid, 1-amino-4-(2-methylanilino)-9,10-dioxoanthracene-2-sulfonic acid, 1-amino-4-[(2-methylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-((2-methylphenyl)amino)-9,10-dioxo-
| Molecular Formula | C21H16N2O5S |
|---|---|
| Molecular Weight | 408.08 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.078 |
| Heavy Atoms | 29 |
| Complexity | 764.0 |
Chemical Identifiers
| CAS Number | 34114-36-8 |
|---|---|
| SMILES | CC1=CC=CC=C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O |
| InChIKey | IDRCEVKPWMZGEN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:465307 (CAS 34114-36-8), with molecular formula C21H16N2O5S and molecular weight 408.08 g/mol. IUPAC: 1-amino-4-(2-methylanilino)-9,10-dioxoanthracene-2-sulfonic acid.
Chemical Property Profile of RefChem:465307
Property Insights of RefChem:465307
The XLogP value of 3.9 indicates that RefChem:465307 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:465307. Following Lipinski's Rule of Five, RefChem:465307 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:465307?
The CAS number of RefChem:465307 is 34114-36-8.
What is the molecular formula of RefChem:465307?
The molecular formula of RefChem:465307 is C21H16N2O5S.
What is the molecular weight of RefChem:465307?
The molecular weight of RefChem:465307 is 408.08 g/mol.
Where can I buy RefChem:465307?
You can request a quote for RefChem:465307 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:465307?
Yes, KEHONG BIO provides custom synthesis services for RefChem:465307 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.