F0508-3113
TL;DR: F0508-3113 (CAS 389071-70-9) is a chemical compound with molecular formula C27H21F3N6O3S2 and molecular weight 598.11 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-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide
Also Known As: F0508-3113, N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide, N-(benzo[d]thiazol-2-yl)-2-((5-((2-phenoxyacetamido)methyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide
| Molecular Formula | C27H21F3N6O3S2 |
|---|---|
| Molecular Weight | 598.11 g/mol |
| LogP | 5.3218 |
| Topological Polar Surface Area | 111.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 598.1069 |
| Heavy Atoms | 41 |
| Complexity | 1640.9161 |
Chemical Identifiers
| CAS Number | 389071-70-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC(=O)NCC2=NN=C(N2C3=CC=CC(=C3)C(F)(F)F)SCC(=O)NC4=NC5=CC=CC=C5S4 |
Product Overview
F0508-3113 (CAS 389071-70-9), with molecular formula C27H21F3N6O3S2 and molecular weight 598.11 g/mol. IUPAC: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide.
Chemical Property Profile of F0508-3113
Property Insights of F0508-3113
The XLogP value of 5.3218 indicates that F0508-3113 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 F0508-3113. Following Lipinski's Rule of Five, F0508-3113 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 F0508-3113?
The CAS number of F0508-3113 is 389071-70-9.
What is the molecular formula of F0508-3113?
The molecular formula of F0508-3113 is C27H21F3N6O3S2.
What is the molecular weight of F0508-3113?
The molecular weight of F0508-3113 is 598.11 g/mol.
Where can I buy F0508-3113?
You can request a quote for F0508-3113 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0508-3113?
Yes, KEHONG BIO provides custom synthesis services for F0508-3113 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.