argatroban
TL;DR: argatroban (CAS 74863-84-6) is a chemical compound with molecular formula C23H36N6O5S and molecular weight 508.2468 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid
Also Known As: argatroban, 21R-Argatroban, 21S-Argatroban, Argatroban-d3, Argatroban anhydrous
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C23H36N6O5S |
| Molecular Weight | 508.2468 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 189.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 508.2468 Da |
| Heavy Atoms | 35 |
| Complexity | 887.0 |
| SMILES | CC1CCN(C(C1)C(=O)O)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C |
| InChIKey | KXNPVXPOPUZYGB-UHFFFAOYSA-N |
Chemical Property Profile of argatroban
Property Insights of argatroban
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for argatroban. The TPSA of 189.0 Ų indicates high polarity, suggesting argatroban may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, argatroban has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of argatroban?
The CAS number of argatroban is 74863-84-6.
What is the molecular formula of argatroban?
The molecular formula of argatroban is C23H36N6O5S.
What is the molecular weight of argatroban?
The molecular weight of argatroban is 508.2468 g/mol.
Where can I buy argatroban?
You can request a quote for argatroban directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for argatroban?
Yes, CoreyChem provides custom synthesis services for argatroban and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.