EINECS 300-868-3
TL;DR: EINECS 300-868-3 (CAS 93964-20-6) is a chemical compound with molecular formula C22H17N3O9S2 and molecular weight 531.04065 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-(4-acetamidoanilino)-5-amino-9,10-dioxoanthracene-1,6-disulfonic acid
Also Known As: 8-((4-(Acetylamino)phenyl)amino)-5-amino-9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonic acid, 8-(4-acetamidoanilino)-5-amino-9,10-dioxoanthracene-1,6-disulfonic acid, 8-[[4-(ACETYLAMINO)PHENYL]AMINO]-5-AMINO-9,10-DIHYDRO-9,10-DIOXOANTHRACENE-1,6-DISULFONIC ACID, 8-{[4-(acetylamino)phenyl]amino}-5-amino-9,10-dioxo-9,10-dihydroanthracene-1,6-disulfonicacid, 8-(4-Acetamidoanilino)-5-amino-9,10-dioxo-9,10-dihydroanthracene-1,6-disulfonic acid
Technical Specifications
| Molecular Formula | C22H17N3O9S2 |
| Molecular Weight | 531.04065 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 227.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 531.04065 Da |
| Heavy Atoms | 36 |
| Complexity | 1110.0 |
| SMILES | CC(=O)NC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C=CC=C4S(=O)(=O)O)N)S(=O)(=O)O |
| InChIKey | TXFCMXHXEUCLNJ-UHFFFAOYSA-N |
Chemical Property Profile of EINECS 300-868-3
Property Insights of EINECS 300-868-3
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 300-868-3. The TPSA of 227.0 Ų indicates high polarity, suggesting EINECS 300-868-3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 300-868-3 has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of EINECS 300-868-3?
The CAS number of EINECS 300-868-3 is 93964-20-6.
What is the molecular formula of EINECS 300-868-3?
The molecular formula of EINECS 300-868-3 is C22H17N3O9S2.
What is the molecular weight of EINECS 300-868-3?
The molecular weight of EINECS 300-868-3 is 531.04065 g/mol.
Where can I buy EINECS 300-868-3?
You can request a quote for EINECS 300-868-3 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for EINECS 300-868-3?
Yes, CoreyChem provides custom synthesis services for EINECS 300-868-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.