Lefradafiban
TL;DR: Lefradafiban (CAS 149503-79-7) is a chemical compound with molecular formula C23H25N3O6 and molecular weight 439.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3S,5S)-5-[[4-[4-(N'-methoxycarbonylcarbamimidoyl)phenyl]phenoxy]methyl]-2-oxopyrrolidin-3-yl]acetate
Also Known As: Lefradafiban
| Molecular Formula | C23H25N3O6 |
|---|---|
| Molecular Weight | 439.17 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 439.17435 |
| Heavy Atoms | 32 |
| Complexity | 696.0 |
Chemical Identifiers
| CAS Number | 149503-79-7 |
|---|---|
| SMILES | COC(=O)C[C@@H]1C[C@H](NC1=O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=NC(=O)OC)N |
| InChIKey | PGCFXITVMNNKON-ROUUACIJSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Lefradafiban (CAS 149503-79-7), with molecular formula C23H25N3O6 and molecular weight 439.17 g/mol. IUPAC: methyl 2-[(3S,5S)-5-[[4-[4-(N'-methoxycarbonylcarbamimidoyl)phenyl]phenoxy]methyl]-2-oxopyrrolidin-3-yl]acetate.
Chemical Property Profile of Lefradafiban
Property Insights of Lefradafiban
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Lefradafiban. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Lefradafiban. Following Lipinski's Rule of Five, Lefradafiban has 2 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 Lefradafiban?
The CAS number of Lefradafiban is 149503-79-7.
What is the molecular formula of Lefradafiban?
The molecular formula of Lefradafiban is C23H25N3O6.
What is the molecular weight of Lefradafiban?
The molecular weight of Lefradafiban is 439.17 g/mol.
Where can I buy Lefradafiban?
You can request a quote for Lefradafiban directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lefradafiban?
Yes, KEHONG BIO provides custom synthesis services for Lefradafiban and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.