Lotrafiban
TL;DR: Lotrafiban (CAS 171049-14-2) is a chemical compound with molecular formula C23H32N4O4 and molecular weight 428.24237 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2S)-4-methyl-3-oxo-7-(4-piperidin-4-ylpiperidine-1-carbonyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid
Also Known As: Lotrafiban, lotrafibanum, Lotrafiban [INN], LOTRAFIBAN [MI], SB 214857
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C23H32N4O4 |
| Molecular Weight | 428.24237 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.24237 Da |
| Heavy Atoms | 31 |
| Complexity | 672.0 |
| SMILES | CN1CC2=C(C=CC(=C2)C(=O)N3CCC(CC3)C4CCNCC4)N[C@H](C1=O)CC(=O)O |
| InChIKey | PYZOVVQJTLOHDG-FQEVSTJZSA-N |
Chemical Property Profile of Lotrafiban
Property Insights of Lotrafiban
The XLogP value of -1.2 indicates that Lotrafiban is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Lotrafiban. Following Lipinski's Rule of Five, Lotrafiban 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
What is the CAS number of Lotrafiban?
The CAS number of Lotrafiban is 171049-14-2.
What is the molecular formula of Lotrafiban?
The molecular formula of Lotrafiban is C23H32N4O4.
What is the molecular weight of Lotrafiban?
The molecular weight of Lotrafiban is 428.24237 g/mol.
Where can I buy Lotrafiban?
You can request a quote for Lotrafiban directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Lotrafiban?
Yes, CoreyChem provides custom synthesis services for Lotrafiban and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.