![N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-cyano-2-fluorobenzamide structure](/static/products/838/838816-76-5.png)
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-cyano-2-fluorobenzamide
TL;DR: N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-cyano-2-fluorobenzamide (CAS 838816-76-5) is a chemical compound with molecular formula C21H11BrFN3O2 and molecular weight 435.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-cyano-2-fluorobenzamide
Also Known As: N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-cyano-2-fluorobenzamide, AP-970/43337367
| Molecular Formula | C21H11BrFN3O2 |
|---|---|
| Molecular Weight | 435.00 g/mol |
| LogP | 5.52038 |
| Topological Polar Surface Area | 78.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 435.00186 |
| Heavy Atoms | 28 |
| Complexity | 1260.2284 |
Chemical Identifiers
| CAS Number | 838816-76-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=C(C=C(C=C4)C#N)F)Br |
Product Overview
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-cyano-2-fluorobenzamide (CAS 838816-76-5), with molecular formula C21H11BrFN3O2 and molecular weight 435.00 g/mol. IUPAC: N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-cyano-2-fluorobenzamide.
Chemical Property Profile of N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-cyano-2-fluorobenzamide
Property Insights of N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-cyano-2-fluorobenzamide
The XLogP value of 5.52038 indicates that N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-cyano-2-fluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.92 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-cyano-2-fluorobenzamide. Following Lipinski's Rule of Five, N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-cyano-2-fluorobenzamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-cyano-2-fluorobenzamide?
The CAS number of N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-cyano-2-fluorobenzamide is 838816-76-5.
What is the molecular formula of N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-cyano-2-fluorobenzamide?
The molecular formula of N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-cyano-2-fluorobenzamide is C21H11BrFN3O2.
What is the molecular weight of N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-cyano-2-fluorobenzamide?
The molecular weight of N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-cyano-2-fluorobenzamide is 435.00 g/mol.
Where can I buy N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-cyano-2-fluorobenzamide?
You can request a quote for N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-cyano-2-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-cyano-2-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-cyano-2-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.