RefChem:465327
TL;DR: RefChem:465327 (CAS 56222-83-4) is a chemical compound with molecular formula C27H20N2O7S2 and molecular weight 548.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 1-amino-4-[(4-methylphenyl)sulfonylamino]-9,10-dioxoanthracene-2-sulfonate
Also Known As: 1-Amino-4- -2-anthraquinonesulfonicacid,phenylester, 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[(4-methylphenyl)sulfonyl]amino]-9,10-dioxo-, phenyl ester, 1-Amino-4-(4-methylphenylsulfonamido)-2-anthraquinonesulfonic acid, phenyl ester, 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-(((4-methylphenyl)sulfonyl)amino)-9,10-dioxo-, phenyl ester, 1-Amino-4-(4-methylphenylsulfonamido)-2-anthraquinonesulfonic acid,phenyl ester
| Molecular Formula | C27H20N2O7S2 |
|---|---|
| Molecular Weight | 548.07 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 548.07117 |
| Heavy Atoms | 38 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 56222-83-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)OC5=CC=CC=C5 |
| InChIKey | XRCIHAXFOYOKAF-UHFFFAOYSA-N |
Product Overview
RefChem:465327 (CAS 56222-83-4), with molecular formula C27H20N2O7S2 and molecular weight 548.07 g/mol. IUPAC: phenyl 1-amino-4-[(4-methylphenyl)sulfonylamino]-9,10-dioxoanthracene-2-sulfonate.
Chemical Property Profile of RefChem:465327
Property Insights of RefChem:465327
The XLogP value of 5.3 indicates that RefChem:465327 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 166.0 Ų indicates high polarity, suggesting RefChem:465327 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:465327 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:465327?
The CAS number of RefChem:465327 is 56222-83-4.
What is the molecular formula of RefChem:465327?
The molecular formula of RefChem:465327 is C27H20N2O7S2.
What is the molecular weight of RefChem:465327?
The molecular weight of RefChem:465327 is 548.07 g/mol.
Where can I buy RefChem:465327?
You can request a quote for RefChem:465327 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:465327?
Yes, KEHONG BIO provides custom synthesis services for RefChem:465327 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.