F0528-1697
TL;DR: F0528-1697 (CAS 476440-46-7) is a chemical compound with molecular formula C28H31FN4O2S and molecular weight 506.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
Also Known As: F0528-1697, N-[(5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide, (1s,3s)-N-((5-((4-fluorobenzyl)thio)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide, N-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide, N-({5-[(p-fluorophenyl)methylthio]-4-(o-methoxyphenyl)-4H-1,2,4-triazol-3-yl}methyl)-1-adamantanecarboxamide
| Molecular Formula | C28H31FN4O2S |
|---|---|
| Molecular Weight | 506.22 g/mol |
| LogP | 5.5399 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 506.21518 |
| Heavy Atoms | 36 |
| Complexity | 1223.4064 |
Chemical Identifiers
| CAS Number | 476440-46-7 |
|---|---|
| SMILES | COC1=CC=CC=C1N2C(=NN=C2SCC3=CC=C(C=C3)F)CNC(=O)C45CC6CC(C4)CC(C6)C5 |
Product Overview
F0528-1697 (CAS 476440-46-7), with molecular formula C28H31FN4O2S and molecular weight 506.22 g/mol. IUPAC: N-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide.
Chemical Property Profile of F0528-1697
Property Insights of F0528-1697
The XLogP value of 5.5399 indicates that F0528-1697 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for F0528-1697. Following Lipinski's Rule of Five, F0528-1697 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0528-1697?
The CAS number of F0528-1697 is 476440-46-7.
What is the molecular formula of F0528-1697?
The molecular formula of F0528-1697 is C28H31FN4O2S.
What is the molecular weight of F0528-1697?
The molecular weight of F0528-1697 is 506.22 g/mol.
Where can I buy F0528-1697?
You can request a quote for F0528-1697 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0528-1697?
Yes, KEHONG BIO provides custom synthesis services for F0528-1697 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.