RefChem:97196
TL;DR: RefChem:97196 (CAS 97549-02-5) is a chemical compound with molecular formula C22H17N3O9S2 and molecular weight 531.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2,6-disulfonic acid
Also Known As: EINECS 307-098-7, 4-(4-(Acetylamino)anilino)-1-amino-9,10-dihydro-9,10-dioxoanthracene-2,6-disulphonic acid, 4-[4-(acetylamino)anilino]-1-amino-9,10-dihydro-9,10-dioxoanthracene-2,6-disulphonic acid, 4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2,6-disulfonic acid, 4-((4-Acetamidophenyl)amino)-1-amino-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonicacid
| Molecular Formula | C22H17N3O9S2 |
|---|---|
| Molecular Weight | 531.04 g/mol |
| LogP | 2.2396 |
| Topological Polar Surface Area | 210.03 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 531.04065 |
| Heavy Atoms | 36 |
| Complexity | 1695.4386 |
Chemical Identifiers
| CAS Number | 97549-02-5 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C=CC(=C4)S(=O)(=O)O)N)S(=O)(=O)O |
Product Overview
RefChem:97196 (CAS 97549-02-5), with molecular formula C22H17N3O9S2 and molecular weight 531.04 g/mol. IUPAC: 4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2,6-disulfonic acid.
Chemical Property Profile of RefChem:97196
Property Insights of RefChem:97196
The XLogP value of 2.2396 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:97196. The TPSA of 210.03 Ų indicates high polarity, suggesting RefChem:97196 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:97196 has 5 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:97196?
The CAS number of RefChem:97196 is 97549-02-5.
What is the molecular formula of RefChem:97196?
The molecular formula of RefChem:97196 is C22H17N3O9S2.
What is the molecular weight of RefChem:97196?
The molecular weight of RefChem:97196 is 531.04 g/mol.
Where can I buy RefChem:97196?
You can request a quote for RefChem:97196 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:97196?
Yes, KEHONG BIO provides custom synthesis services for RefChem:97196 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.