阿加曲班
TL;DR: 阿加曲班 (CAS 74863-84-6) is a chemical compound with molecular formula C23H36N6O5S and molecular weight 508.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿加曲班
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
| Molecular Formula | C23H36N6O5S |
|---|---|
| Molecular Weight | 508.25 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 508.2468 |
| Heavy Atoms | 35 |
| Complexity | 887.0 |
Chemical Identifiers
| CAS Number | 74863-84-6 |
|---|---|
| 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 |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿加曲班 (CAS 74863-84-6), with molecular formula C23H36N6O5S and molecular weight 508.25 g/mol. IUPAC: 1-[5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid.
Chemical Property Profile of 阿加曲班
Property Insights of 阿加曲班
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 阿加曲班. The TPSA of 189.0 Ų indicates high polarity, suggesting 阿加曲班 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 阿加曲班 has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 阿加曲班?
The CAS number of 阿加曲班 is 74863-84-6.
What is the molecular formula of 阿加曲班?
The molecular formula of 阿加曲班 is C23H36N6O5S.
What is the molecular weight of 阿加曲班?
The molecular weight of 阿加曲班 is 508.25 g/mol.
Where can I buy 阿加曲班?
You can request a quote for 阿加曲班 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿加曲班?
Yes, KEHONG BIO provides custom synthesis services for 阿加曲班 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.