RefChem:563927
TL;DR: RefChem:563927 (CAS 61886-54-2) is a chemical compound with molecular formula C21H15BrN2O5S and molecular weight 485.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-3-bromo-9,10-dioxoanthracen-1-yl)amino]-6-methylbenzenesulfonic acid
Also Known As: Benzenesulfonic acid, 2(or 5)-[(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-5(or 2)-methyl-, 2-[(4-amino-3-bromo-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-6-methylbenzenesulfonic acid, Benzenesulfonic acid, 2(or 5)-((4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-5(or 2)-methyl-, 2-[(4-amino-3-bromo-9,10-dioxoanthracen-1-yl)amino]-6-methylbenzenesulfonic acid, 2(Or 5)-((4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthryl)amino)-5(or 2)-methylbenzenesulphonic acid
| Molecular Formula | C21H15BrN2O5S |
|---|---|
| Molecular Weight | 485.99 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 485.9885 |
| Heavy Atoms | 30 |
| Complexity | 800.0 |
Chemical Identifiers
| CAS Number | 61886-54-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)Br)S(=O)(=O)O |
| InChIKey | SHONRZHXNYRHLZ-UHFFFAOYSA-N |
Product Overview
RefChem:563927 (CAS 61886-54-2), with molecular formula C21H15BrN2O5S and molecular weight 485.99 g/mol. IUPAC: 2-[(4-amino-3-bromo-9,10-dioxoanthracen-1-yl)amino]-6-methylbenzenesulfonic acid.
Chemical Property Profile of RefChem:563927
Property Insights of RefChem:563927
The XLogP value of 4.6 indicates that RefChem:563927 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:563927. Following Lipinski's Rule of Five, RefChem:563927 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:563927?
The CAS number of RefChem:563927 is 61886-54-2.
What is the molecular formula of RefChem:563927?
The molecular formula of RefChem:563927 is C21H15BrN2O5S.
What is the molecular weight of RefChem:563927?
The molecular weight of RefChem:563927 is 485.99 g/mol.
Where can I buy RefChem:563927?
You can request a quote for RefChem:563927 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:563927?
Yes, KEHONG BIO provides custom synthesis services for RefChem:563927 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.