Elarofiban anhydrous
TL;DR: Elarofiban anhydrous (CAS 22827-17-4) is a chemical compound with molecular formula C22H32N4O4 and molecular weight 416.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoic acid
Also Known As: Elarofiban, Elarofiban [INN], Elarofiban anhydrous, Rwj 53308, KST-1A2885
| Molecular Formula | C22H32N4O4 |
|---|---|
| Molecular Weight | 416.24 g/mol |
| LogP | -2.2 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.24237 |
| Heavy Atoms | 30 |
| Complexity | 594.0 |
Chemical Identifiers
| CAS Number | 22827-17-4 |
|---|---|
| SMILES | C1C[C@H](CN(C1)C(=O)CCC2CCNCC2)C(=O)N[C@@H](CC(=O)O)C3=CN=CC=C3 |
| InChIKey | ABNXKGFLZFSILK-MOPGFXCFSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Elarofiban anhydrous (CAS 22827-17-4), with molecular formula C22H32N4O4 and molecular weight 416.24 g/mol. IUPAC: (3S)-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoic acid.
Chemical Property Profile of Elarofiban anhydrous
Property Insights of Elarofiban anhydrous
The XLogP value of -2.2 indicates that Elarofiban anhydrous is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Elarofiban anhydrous. Following Lipinski's Rule of Five, Elarofiban anhydrous has 3 hydrogen bond donor(s) and 6 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 Elarofiban anhydrous?
The CAS number of Elarofiban anhydrous is 22827-17-4.
What is the molecular formula of Elarofiban anhydrous?
The molecular formula of Elarofiban anhydrous is C22H32N4O4.
What is the molecular weight of Elarofiban anhydrous?
The molecular weight of Elarofiban anhydrous is 416.24 g/mol.
Where can I buy Elarofiban anhydrous?
You can request a quote for Elarofiban anhydrous directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Elarofiban anhydrous?
Yes, KEHONG BIO provides custom synthesis services for Elarofiban anhydrous and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.