3-(4-Fluoro-phenylamino)-3H-isobenzofuran-1-one
TL;DR: 3-(4-Fluoro-phenylamino)-3H-isobenzofuran-1-one (CAS 309926-32-7) is a chemical compound with molecular formula C14H10FNO2 and molecular weight 243.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluoroanilino)-3H-2-benzofuran-1-one
Also Known As: 3-(4-Fluoro-phenylamino)-3H-isobenzofuran-1-one, 3-((4-Fluorophenyl)amino)isobenzofuran-1(3H)-one, 3-(4-fluoroanilino)-3H-2-benzofuran-1-one, 3-(4-fluoroanilino)-3H-isobenzofuran-1-one, 3-[(4-fluorophenyl)amino]-3H-2-benzofuran-1-one
| Molecular Formula | C14H10FNO2 |
|---|---|
| Molecular Weight | 243.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.06955 |
| Heavy Atoms | 18 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 309926-32-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(OC2=O)NC3=CC=C(C=C3)F |
| InChIKey | MLQKCVWRZPCHDQ-UHFFFAOYSA-N |
Product Overview
3-(4-Fluoro-phenylamino)-3H-isobenzofuran-1-one (CAS 309926-32-7), with molecular formula C14H10FNO2 and molecular weight 243.07 g/mol. IUPAC: 3-(4-fluoroanilino)-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-(4-Fluoro-phenylamino)-3H-isobenzofuran-1-one
Property Insights of 3-(4-Fluoro-phenylamino)-3H-isobenzofuran-1-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Fluoro-phenylamino)-3H-isobenzofuran-1-one. With a topological polar surface area (TPSA) of 38.3 Ų, 3-(4-Fluoro-phenylamino)-3H-isobenzofuran-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Fluoro-phenylamino)-3H-isobenzofuran-1-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-Fluoro-phenylamino)-3H-isobenzofuran-1-one?
The CAS number of 3-(4-Fluoro-phenylamino)-3H-isobenzofuran-1-one is 309926-32-7.
What is the molecular formula of 3-(4-Fluoro-phenylamino)-3H-isobenzofuran-1-one?
The molecular formula of 3-(4-Fluoro-phenylamino)-3H-isobenzofuran-1-one is C14H10FNO2.
What is the molecular weight of 3-(4-Fluoro-phenylamino)-3H-isobenzofuran-1-one?
The molecular weight of 3-(4-Fluoro-phenylamino)-3H-isobenzofuran-1-one is 243.07 g/mol.
Where can I buy 3-(4-Fluoro-phenylamino)-3H-isobenzofuran-1-one?
You can request a quote for 3-(4-Fluoro-phenylamino)-3H-isobenzofuran-1-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-Fluoro-phenylamino)-3H-isobenzofuran-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Fluoro-phenylamino)-3H-isobenzofuran-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.