F0528-0997
TL;DR: F0528-0997 (CAS 477299-66-4) is a chemical compound with molecular formula C25H34N4O2S and molecular weight 454.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-butylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
Also Known As: F0528-0997, N-[[5-butylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide, N-{[5-(butylsulfanyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide, (1S,3s)-N-((5-(butylthio)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide
| Molecular Formula | C25H34N4O2S |
|---|---|
| Molecular Weight | 454.24 g/mol |
| LogP | 5.0007 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 454.24023 |
| Heavy Atoms | 32 |
| Complexity | 920.0673 |
Chemical Identifiers
| CAS Number | 477299-66-4 |
|---|---|
| SMILES | CCCCSC1=NN=C(N1C2=CC=C(C=C2)OC)CNC(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
F0528-0997 (CAS 477299-66-4), with molecular formula C25H34N4O2S and molecular weight 454.24 g/mol. IUPAC: N-[[5-butylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide.
Chemical Property Profile of F0528-0997
Property Insights of F0528-0997
The XLogP value of 5.0007 indicates that F0528-0997 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 F0528-0997. Following Lipinski's Rule of Five, F0528-0997 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 F0528-0997?
The CAS number of F0528-0997 is 477299-66-4.
What is the molecular formula of F0528-0997?
The molecular formula of F0528-0997 is C25H34N4O2S.
What is the molecular weight of F0528-0997?
The molecular weight of F0528-0997 is 454.24 g/mol.
Where can I buy F0528-0997?
You can request a quote for F0528-0997 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0528-0997?
Yes, KEHONG BIO provides custom synthesis services for F0528-0997 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.