Xemilofiban
TL;DR: Xemilofiban (CAS 149820-74-6) is a chemical compound with molecular formula C18H22N4O4 and molecular weight 358.1641 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (3S)-3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]pent-4-ynoate
Also Known As: Xemilofiban, Xemilofiban [INN], xemilofibanum, XEMILOFIBAN [MI], SC-54684A
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H22N4O4 |
| Molecular Weight | 358.1641 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 358.1641 Da |
| Heavy Atoms | 26 |
| Complexity | 573.0 |
| SMILES | CCOC(=O)C[C@@H](C#C)NC(=O)CCC(=O)NC1=CC=C(C=C1)C(=N)N |
| InChIKey | ZHCINJQZDFCSEL-CYBMUJFWSA-N |
Chemical Property Profile of Xemilofiban
Property Insights of Xemilofiban
The XLogP value of -0.4 indicates that Xemilofiban is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Xemilofiban. Following Lipinski's Rule of Five, Xemilofiban has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Xemilofiban?
The CAS number of Xemilofiban is 149820-74-6.
What is the molecular formula of Xemilofiban?
The molecular formula of Xemilofiban is C18H22N4O4.
What is the molecular weight of Xemilofiban?
The molecular weight of Xemilofiban is 358.1641 g/mol.
Where can I buy Xemilofiban?
You can request a quote for Xemilofiban directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Xemilofiban?
Yes, CoreyChem provides custom synthesis services for Xemilofiban and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.