![3-[(4-bromo-2-fluorophenyl)amino]-2-benzofuran-1(3H)-one structure](/static/products/799/799770-40-4.png)
3-[(4-bromo-2-fluorophenyl)amino]-2-benzofuran-1(3H)-one
TL;DR: 3-[(4-bromo-2-fluorophenyl)amino]-2-benzofuran-1(3H)-one (CAS 799770-40-4) is a chemical compound with molecular formula C14H9BrFNO2 and molecular weight 320.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromo-2-fluoroanilino)-3H-2-benzofuran-1-one
Also Known As: 3-(4-bromo-2-fluoroanilino)-3H-2-benzofuran-1-one, 3-[(4-bromo-2-fluorophenyl)amino]-2-benzofuran-1(3H)-one, 3-((4-bromo-2-fluorophenyl)amino)isobenzofuran-1(3H)-one
| Molecular Formula | C14H9BrFNO2 |
|---|---|
| Molecular Weight | 320.98 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.98007 |
| Heavy Atoms | 19 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 799770-40-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(OC2=O)NC3=C(C=C(C=C3)Br)F |
| InChIKey | FPDLABTWASHSOM-UHFFFAOYSA-N |
Product Overview
3-[(4-bromo-2-fluorophenyl)amino]-2-benzofuran-1(3H)-one (CAS 799770-40-4), with molecular formula C14H9BrFNO2 and molecular weight 320.98 g/mol. IUPAC: 3-(4-bromo-2-fluoroanilino)-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-[(4-bromo-2-fluorophenyl)amino]-2-benzofuran-1(3H)-one
Property Insights of 3-[(4-bromo-2-fluorophenyl)amino]-2-benzofuran-1(3H)-one
The XLogP value of 3.9 indicates that 3-[(4-bromo-2-fluorophenyl)amino]-2-benzofuran-1(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 3-[(4-bromo-2-fluorophenyl)amino]-2-benzofuran-1(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-bromo-2-fluorophenyl)amino]-2-benzofuran-1(3H)-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(4-bromo-2-fluorophenyl)amino]-2-benzofuran-1(3H)-one?
The CAS number of 3-[(4-bromo-2-fluorophenyl)amino]-2-benzofuran-1(3H)-one is 799770-40-4.
What is the molecular formula of 3-[(4-bromo-2-fluorophenyl)amino]-2-benzofuran-1(3H)-one?
The molecular formula of 3-[(4-bromo-2-fluorophenyl)amino]-2-benzofuran-1(3H)-one is C14H9BrFNO2.
What is the molecular weight of 3-[(4-bromo-2-fluorophenyl)amino]-2-benzofuran-1(3H)-one?
The molecular weight of 3-[(4-bromo-2-fluorophenyl)amino]-2-benzofuran-1(3H)-one is 320.98 g/mol.
Where can I buy 3-[(4-bromo-2-fluorophenyl)amino]-2-benzofuran-1(3H)-one?
You can request a quote for 3-[(4-bromo-2-fluorophenyl)amino]-2-benzofuran-1(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-bromo-2-fluorophenyl)amino]-2-benzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-bromo-2-fluorophenyl)amino]-2-benzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.