F0528-1489
TL;DR: F0528-1489 (CAS 477304-62-4) is a chemical compound with molecular formula C23H29FN4OS and molecular weight 428.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-ethyl-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
Also Known As: F0528-1489, (1s,3s)-N-((4-ethyl-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide, N-[[4-ethyl-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide, N-[(4-ethyl-5-{[(3-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide
| Molecular Formula | C23H29FN4OS |
|---|---|
| Molecular Weight | 428.20 g/mol |
| LogP | 4.562 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.20462 |
| Heavy Atoms | 30 |
| Complexity | 907.7501 |
Chemical Identifiers
| CAS Number | 477304-62-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC(=CC=C2)F)CNC(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
F0528-1489 (CAS 477304-62-4), with molecular formula C23H29FN4OS and molecular weight 428.20 g/mol. IUPAC: N-[[4-ethyl-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide.
Chemical Property Profile of F0528-1489
Property Insights of F0528-1489
The XLogP value of 4.562 indicates that F0528-1489 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, F0528-1489 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0528-1489 has 1 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 F0528-1489?
The CAS number of F0528-1489 is 477304-62-4.
What is the molecular formula of F0528-1489?
The molecular formula of F0528-1489 is C23H29FN4OS.
What is the molecular weight of F0528-1489?
The molecular weight of F0528-1489 is 428.20 g/mol.
Where can I buy F0528-1489?
You can request a quote for F0528-1489 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0528-1489?
Yes, KEHONG BIO provides custom synthesis services for F0528-1489 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.