F0507-1953
TL;DR: F0507-1953 (CAS 391917-15-0) is a chemical compound with molecular formula C27H21F3N6O2S2 and molecular weight 582.11 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]-3-methylbenzamide
Also Known As: F0507-1953, N-((5-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)methyl)-3-methylbenzamide, N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide, N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide
| Molecular Formula | C27H21F3N6O2S2 |
|---|---|
| Molecular Weight | 582.11 g/mol |
| LogP | 5.86502 |
| Topological Polar Surface Area | 101.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 582.11194 |
| Heavy Atoms | 40 |
| Complexity | 1666.1803 |
Chemical Identifiers
| CAS Number | 391917-15-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NCC2=NN=C(N2C3=CC=CC(=C3)C(F)(F)F)SCC(=O)NC4=NC5=CC=CC=C5S4 |
Product Overview
F0507-1953 (CAS 391917-15-0), with molecular formula C27H21F3N6O2S2 and molecular weight 582.11 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]-3-methylbenzamide.
Chemical Property Profile of F0507-1953
Property Insights of F0507-1953
The XLogP value of 5.86502 indicates that F0507-1953 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.8 Ų falls within the moderate polarity range, balancing permeability and solubility for F0507-1953. Following Lipinski's Rule of Five, F0507-1953 has 2 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 F0507-1953?
The CAS number of F0507-1953 is 391917-15-0.
What is the molecular formula of F0507-1953?
The molecular formula of F0507-1953 is C27H21F3N6O2S2.
What is the molecular weight of F0507-1953?
The molecular weight of F0507-1953 is 582.11 g/mol.
Where can I buy F0507-1953?
You can request a quote for F0507-1953 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0507-1953?
Yes, KEHONG BIO provides custom synthesis services for F0507-1953 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.