P2Y12 antagonist 1
TL;DR: P2Y12 antagonist 1 (CAS 6222-65-7) is a chemical compound with molecular formula C20H15N3O5S and molecular weight 409.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4-(4-aminoanilino)-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: P2Y12 antagonist 1, 2-Anthracenesulfonic acid, 1-amino-4-[(4-aminophenyl)amino]-9,10-dihydro-9,10-dioxo-, 1-Amino-4-(4-aminoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid, 1-Amino-4-(4-aminoanilino)anthraquinone-2-sulfonic acid, 1-amino-4-(4-aminoanilino)-9,10-dioxoanthracene-2-sulfonic acid
| Molecular Formula | C20H15N3O5S |
|---|---|
| Molecular Weight | 409.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.07324 |
| Heavy Atoms | 29 |
| Complexity | 759.0 |
Chemical Identifiers
| CAS Number | 6222-65-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)N)S(=O)(=O)O)N |
| InChIKey | ZCQMYMXRGJWSHH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
P2Y12 antagonist 1 (CAS 6222-65-7), with molecular formula C20H15N3O5S and molecular weight 409.07 g/mol. IUPAC: 1-amino-4-(4-aminoanilino)-9,10-dioxoanthracene-2-sulfonic acid.
Chemical Property Profile of P2Y12 antagonist 1
Property Insights of P2Y12 antagonist 1
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for P2Y12 antagonist 1. The TPSA of 161.0 Ų indicates high polarity, suggesting P2Y12 antagonist 1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, P2Y12 antagonist 1 has 4 hydrogen bond donor(s) and 8 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 P2Y12 antagonist 1?
The CAS number of P2Y12 antagonist 1 is 6222-65-7.
What is the molecular formula of P2Y12 antagonist 1?
The molecular formula of P2Y12 antagonist 1 is C20H15N3O5S.
What is the molecular weight of P2Y12 antagonist 1?
The molecular weight of P2Y12 antagonist 1 is 409.07 g/mol.
Where can I buy P2Y12 antagonist 1?
You can request a quote for P2Y12 antagonist 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for P2Y12 antagonist 1?
Yes, KEHONG BIO provides custom synthesis services for P2Y12 antagonist 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.