F0791-0035
TL;DR: F0791-0035 (CAS 304645-98-5) is a chemical compound with molecular formula C21H12BrN3O3 and molecular weight 433.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenyl] 5-bromofuran-2-carboxylate
Also Known As: F0791-0035, (E)-4-(2-(1H-benzo[d]imidazol-2-yl)-2-cyanovinyl)phenyl 5-bromofuran-2-carboxylate, 4-[(1E)-2-(1H-1,3-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]phenyl 5-bromofuran-2-carboxylate, [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenyl] 5-bromofuran-2-carboxylate, [4-[2-(1H-benzoimidazol-2-yl)-2-cyano-ethenyl]phenyl] 5-bromofuran-2-carboxylate
| Molecular Formula | C21H12BrN3O3 |
|---|---|
| Molecular Weight | 433.01 g/mol |
| LogP | 5.20178 |
| Topological Polar Surface Area | 91.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.0062 |
| Heavy Atoms | 28 |
| Complexity | 1196.7598 |
Chemical Identifiers
| CAS Number | 304645-98-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)/C(=C/C3=CC=C(C=C3)OC(=O)C4=CC=C(O4)Br)/C#N |
Product Overview
F0791-0035 (CAS 304645-98-5), with molecular formula C21H12BrN3O3 and molecular weight 433.01 g/mol. IUPAC: [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenyl] 5-bromofuran-2-carboxylate.
Chemical Property Profile of F0791-0035
Property Insights of F0791-0035
The XLogP value of 5.20178 indicates that F0791-0035 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.91 Ų falls within the moderate polarity range, balancing permeability and solubility for F0791-0035. Following Lipinski's Rule of Five, F0791-0035 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0791-0035?
The CAS number of F0791-0035 is 304645-98-5.
What is the molecular formula of F0791-0035?
The molecular formula of F0791-0035 is C21H12BrN3O3.
What is the molecular weight of F0791-0035?
The molecular weight of F0791-0035 is 433.01 g/mol.
Where can I buy F0791-0035?
You can request a quote for F0791-0035 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0791-0035?
Yes, KEHONG BIO provides custom synthesis services for F0791-0035 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.