F0496-0428
TL;DR: F0496-0428 (CAS 391896-83-6) is a chemical compound with molecular formula C21H11BrN2O2S2 and molecular weight 465.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl] 5-bromothiophene-2-carboxylate
Also Known As: F0496-0428, (E)-4-(2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)phenyl 5-bromothiophene-2-carboxylate, [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl] 5-bromothiophene-2-carboxylate, 4-[(1E)-2-(1,3-benzothiazol-2-yl)-2-cyanoeth-1-en-1-yl]phenyl 5-bromothiophene-2-carboxylate, [4-(2-benzothiazol-2-yl-2-cyano-ethenyl)phenyl] 5-bromothiophene-2-carboxylate
| Molecular Formula | C21H11BrN2O2S2 |
|---|---|
| Molecular Weight | 465.94 g/mol |
| LogP | 6.40368 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 465.94452 |
| Heavy Atoms | 28 |
| Complexity | 1200.2695 |
Chemical Identifiers
| CAS Number | 391896-83-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC=C(C=C3)OC(=O)C4=CC=C(S4)Br)/C#N |
Product Overview
F0496-0428 (CAS 391896-83-6), with molecular formula C21H11BrN2O2S2 and molecular weight 465.94 g/mol. IUPAC: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl] 5-bromothiophene-2-carboxylate.
Chemical Property Profile of F0496-0428
Property Insights of F0496-0428
The XLogP value of 6.40368 indicates that F0496-0428 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for F0496-0428. Following Lipinski's Rule of Five, F0496-0428 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0496-0428?
The CAS number of F0496-0428 is 391896-83-6.
What is the molecular formula of F0496-0428?
The molecular formula of F0496-0428 is C21H11BrN2O2S2.
What is the molecular weight of F0496-0428?
The molecular weight of F0496-0428 is 465.94 g/mol.
Where can I buy F0496-0428?
You can request a quote for F0496-0428 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0496-0428?
Yes, KEHONG BIO provides custom synthesis services for F0496-0428 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.