F0721-0684
TL;DR: F0721-0684 (CAS 393874-87-8) is a chemical compound with molecular formula C29H27FN6O3S2 and molecular weight 590.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-4-butoxybenzamide
Also Known As: F0721-0684, N-((5-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)methyl)-4-butoxybenzamide, N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-butoxybenzamide, N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-4-butoxybenzamide
| Molecular Formula | C29H27FN6O3S2 |
|---|---|
| Molecular Weight | 590.16 g/mol |
| LogP | 5.8558 |
| Topological Polar Surface Area | 111.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 590.157 |
| Heavy Atoms | 41 |
| Complexity | 1603.9031 |
Chemical Identifiers
| CAS Number | 393874-87-8 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)F)SCC(=O)NC4=NC5=CC=CC=C5S4 |
Product Overview
F0721-0684 (CAS 393874-87-8), with molecular formula C29H27FN6O3S2 and molecular weight 590.16 g/mol. IUPAC: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-4-butoxybenzamide.
Chemical Property Profile of F0721-0684
Property Insights of F0721-0684
The XLogP value of 5.8558 indicates that F0721-0684 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.03 Ų falls within the moderate polarity range, balancing permeability and solubility for F0721-0684. Following Lipinski's Rule of Five, F0721-0684 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0721-0684?
The CAS number of F0721-0684 is 393874-87-8.
What is the molecular formula of F0721-0684?
The molecular formula of F0721-0684 is C29H27FN6O3S2.
What is the molecular weight of F0721-0684?
The molecular weight of F0721-0684 is 590.16 g/mol.
Where can I buy F0721-0684?
You can request a quote for F0721-0684 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0721-0684?
Yes, KEHONG BIO provides custom synthesis services for F0721-0684 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.