Efegatran
TL;DR: Efegatran (CAS 105806-65-3) is a chemical compound with molecular formula C21H32N6O3 and molecular weight 416.2536 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide
Also Known As: efegatran, Efegatran [INN], efegatranum, Me-Phe-Pro-Arg-H, Efegatran sulfate hydrate
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H32N6O3 |
| Molecular Weight | 416.2536 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 143.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 416.2536 Da |
| Heavy Atoms | 30 |
| Complexity | 602.0 |
| SMILES | CN[C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C=O |
| InChIKey | KAGLWQUWUNBAOO-KSZLIROESA-N |
Chemical Property Profile of Efegatran
Property Insights of Efegatran
The XLogP value of -0.1 indicates that Efegatran is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.0 Ų indicates high polarity, suggesting Efegatran may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Efegatran 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 Efegatran?
The CAS number of Efegatran is 105806-65-3.
What is the molecular formula of Efegatran?
The molecular formula of Efegatran is C21H32N6O3.
What is the molecular weight of Efegatran?
The molecular weight of Efegatran is 416.2536 g/mol.
Where can I buy Efegatran?
You can request a quote for Efegatran directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Efegatran?
Yes, CoreyChem provides custom synthesis services for Efegatran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.