F0507-1887
TL;DR: F0507-1887 (CAS 391916-54-4) is a chemical compound with molecular formula C26H21BrN6O2S2 and molecular weight 592.04 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-bromophenyl)-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide
Also Known As: F0507-1887, N-((5-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl)methyl)-3-methylbenzamide, N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide, N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide
| Molecular Formula | C26H21BrN6O2S2 |
|---|---|
| Molecular Weight | 592.04 g/mol |
| LogP | 5.60872 |
| Topological Polar Surface Area | 101.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 592.0351 |
| Heavy Atoms | 37 |
| Complexity | 1548.812 |
Chemical Identifiers
| CAS Number | 391916-54-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)Br)SCC(=O)NC4=NC5=CC=CC=C5S4 |
Product Overview
F0507-1887 (CAS 391916-54-4), with molecular formula C26H21BrN6O2S2 and molecular weight 592.04 g/mol. IUPAC: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide.
Chemical Property Profile of F0507-1887
Property Insights of F0507-1887
The XLogP value of 5.60872 indicates that F0507-1887 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 F0507-1887. Following Lipinski's Rule of Five, F0507-1887 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 F0507-1887?
The CAS number of F0507-1887 is 391916-54-4.
What is the molecular formula of F0507-1887?
The molecular formula of F0507-1887 is C26H21BrN6O2S2.
What is the molecular weight of F0507-1887?
The molecular weight of F0507-1887 is 592.04 g/mol.
Where can I buy F0507-1887?
You can request a quote for F0507-1887 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0507-1887?
Yes, KEHONG BIO provides custom synthesis services for F0507-1887 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.