F0528-1396
TL;DR: F0528-1396 (CAS 477303-65-4) is a chemical compound with molecular formula C28H31FN4OS and molecular weight 490.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-benzyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
Also Known As: F0528-1396, (1S,3s)-N-((4-benzyl-5-((4-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide, N-[(4-benzyl-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide, N-[[4-benzyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
| Molecular Formula | C28H31FN4OS |
|---|---|
| Molecular Weight | 490.22 g/mol |
| LogP | 5.5904 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 490.22028 |
| Heavy Atoms | 35 |
| Complexity | 1158.142 |
Chemical Identifiers
| CAS Number | 477303-65-4 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=NN=C(N4CC5=CC=CC=C5)SCC6=CC=C(C=C6)F |
Product Overview
F0528-1396 (CAS 477303-65-4), with molecular formula C28H31FN4OS and molecular weight 490.22 g/mol. IUPAC: N-[[4-benzyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide.
Chemical Property Profile of F0528-1396
Property Insights of F0528-1396
The XLogP value of 5.5904 indicates that F0528-1396 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, F0528-1396 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0528-1396 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0528-1396?
The CAS number of F0528-1396 is 477303-65-4.
What is the molecular formula of F0528-1396?
The molecular formula of F0528-1396 is C28H31FN4OS.
What is the molecular weight of F0528-1396?
The molecular weight of F0528-1396 is 490.22 g/mol.
Where can I buy F0528-1396?
You can request a quote for F0528-1396 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0528-1396?
Yes, KEHONG BIO provides custom synthesis services for F0528-1396 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.