Argatroban (USAN:INN:BAN:JAN)
TL;DR: Argatroban (USAN:INN:BAN:JAN) (CAS 141396-28-3) is a chemical compound with molecular formula C23H38N6O6S and molecular weight 526.2573 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid;hydrate
Also Known As: Argatroban monohydrate, argatroban, Argatroban hydrate, Argipidine, Novastan
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C23H38N6O6S |
| Molecular Weight | 526.2573 g/mol |
| XLogP | -0.12 |
| Topological Polar Surface Area (TPSA) | 190.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 526.2573 Da |
| Heavy Atoms | 36 |
| Complexity | 887.0 |
| SMILES | C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C.O |
| InChIKey | AIEZTKLTLCMZIA-CZSXTPSTSA-N |
Chemical Property Profile of Argatroban (USAN:INN:BAN:JAN)
Property Insights of Argatroban (USAN:INN:BAN:JAN)
The XLogP value of -0.12 indicates that Argatroban (USAN:INN:BAN:JAN) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 190.0 Ų indicates high polarity, suggesting Argatroban (USAN:INN:BAN:JAN) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Argatroban (USAN:INN:BAN:JAN) has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Argatroban (USAN:INN:BAN:JAN)?
The CAS number of Argatroban (USAN:INN:BAN:JAN) is 141396-28-3.
What is the molecular formula of Argatroban (USAN:INN:BAN:JAN)?
The molecular formula of Argatroban (USAN:INN:BAN:JAN) is C23H38N6O6S.
What is the molecular weight of Argatroban (USAN:INN:BAN:JAN)?
The molecular weight of Argatroban (USAN:INN:BAN:JAN) is 526.2573 g/mol.
Where can I buy Argatroban (USAN:INN:BAN:JAN)?
You can request a quote for Argatroban (USAN:INN:BAN:JAN) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Argatroban (USAN:INN:BAN:JAN)?
Yes, CoreyChem provides custom synthesis services for Argatroban (USAN:INN:BAN:JAN) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.