Liroldine
TL;DR: Liroldine (CAS 105102-20-3) is a chemical compound with molecular formula C20H20F2N4 and molecular weight 354.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-fluorophenyl]-2-fluorophenyl]-3,4-dihydro-2H-pyrrol-5-amine
Also Known As: Liroldine, Liroldina, Liroldinum, Liroldine [INN], Liroldina [Spanish]
| Molecular Formula | C20H20F2N4 |
|---|---|
| Molecular Weight | 354.17 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 48.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.1656 |
| Heavy Atoms | 26 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 105102-20-3 |
|---|---|
| SMILES | C1CC(=NC1)NC2=C(C=C(C=C2)C3=CC(=C(C=C3)NC4=NCCC4)F)F |
| InChIKey | NHTMYQFUQFNSKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Liroldine (CAS 105102-20-3), with molecular formula C20H20F2N4 and molecular weight 354.17 g/mol. IUPAC: N-[4-[4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-fluorophenyl]-2-fluorophenyl]-3,4-dihydro-2H-pyrrol-5-amine.
Chemical Property Profile of Liroldine
Property Insights of Liroldine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Liroldine. With a topological polar surface area (TPSA) of 48.8 Ų, Liroldine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Liroldine has 2 hydrogen bond donor(s) and 4 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 Liroldine?
The CAS number of Liroldine is 105102-20-3.
What is the molecular formula of Liroldine?
The molecular formula of Liroldine is C20H20F2N4.
What is the molecular weight of Liroldine?
The molecular weight of Liroldine is 354.17 g/mol.
Where can I buy Liroldine?
You can request a quote for Liroldine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Liroldine?
Yes, KEHONG BIO provides custom synthesis services for Liroldine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.