F0528-0646
TL;DR: F0528-0646 (CAS 476449-29-3) is a chemical compound with molecular formula C27H34N6O3S and molecular weight 522.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-butyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide
Also Known As: F0528-0646, N-((4-butyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide, N-[(4-butyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide, N-[[4-butyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide, N-({4-butyl-5-[2-oxo-2-(4-phenyl-1-piperazinyl)ethylthio]-4H-1,2,4-triazol-3-yl}methyl)p-anisamide
| Molecular Formula | C27H34N6O3S |
|---|---|
| Molecular Weight | 522.24 g/mol |
| LogP | 3.4577 |
| Topological Polar Surface Area | 92.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 522.24133 |
| Heavy Atoms | 37 |
| Complexity | 1160.6444 |
Chemical Identifiers
| CAS Number | 476449-29-3 |
|---|---|
| SMILES | CCCCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)OC |
Product Overview
F0528-0646 (CAS 476449-29-3), with molecular formula C27H34N6O3S and molecular weight 522.24 g/mol. IUPAC: N-[[4-butyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide.
Chemical Property Profile of F0528-0646
Property Insights of F0528-0646
The XLogP value of 3.4577 indicates that F0528-0646 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.59 Ų falls within the moderate polarity range, balancing permeability and solubility for F0528-0646. Following Lipinski's Rule of Five, F0528-0646 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0528-0646?
The CAS number of F0528-0646 is 476449-29-3.
What is the molecular formula of F0528-0646?
The molecular formula of F0528-0646 is C27H34N6O3S.
What is the molecular weight of F0528-0646?
The molecular weight of F0528-0646 is 522.24 g/mol.
Where can I buy F0528-0646?
You can request a quote for F0528-0646 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0528-0646?
Yes, KEHONG BIO provides custom synthesis services for F0528-0646 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.