3- -5-FLUOROBENZONITRILE
TL;DR: 3- -5-FLUOROBENZONITRILE (CAS 304853-30-3) is a chemical compound with molecular formula C17H13FN2O2 and molecular weight 296.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-5-fluorobenzonitrile
Also Known As: 3- -5-FLUOROBENZONITRILE, 3-(4,4-dimethyl-2-oxo-2,4-dihydro-1H-benzo[d][1,3]oxazin-6-yl)-5-fluorobenzonitrile, 3-(4,4-dimethyl-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)-5-fluorobenzonitrile, 3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-5-fluorobenzon, 3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-5-fluorobenzonitrile
| Molecular Formula | C17H13FN2O2 |
|---|---|
| Molecular Weight | 296.10 g/mol |
| LogP | 4.16158 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.0961 |
| Heavy Atoms | 22 |
| Complexity | 821.89404 |
Chemical Identifiers
| CAS Number | 304853-30-3 |
|---|---|
| SMILES | CC1(C2=C(C=CC(=C2)C3=CC(=CC(=C3)C#N)F)NC(=O)O1)C |
Product Overview
3- -5-FLUOROBENZONITRILE (CAS 304853-30-3), with molecular formula C17H13FN2O2 and molecular weight 296.10 g/mol. IUPAC: 3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-5-fluorobenzonitrile.
Chemical Property Profile of 3- -5-FLUOROBENZONITRILE
Property Insights of 3- -5-FLUOROBENZONITRILE
The XLogP value of 4.16158 indicates that 3- -5-FLUOROBENZONITRILE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 3- -5-FLUOROBENZONITRILE. Following Lipinski's Rule of Five, 3- -5-FLUOROBENZONITRILE has 1 hydrogen bond donor(s) and 3 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- -5-FLUOROBENZONITRILE?
The CAS number of 3- -5-FLUOROBENZONITRILE is 304853-30-3.
What is the molecular formula of 3- -5-FLUOROBENZONITRILE?
The molecular formula of 3- -5-FLUOROBENZONITRILE is C17H13FN2O2.
What is the molecular weight of 3- -5-FLUOROBENZONITRILE?
The molecular weight of 3- -5-FLUOROBENZONITRILE is 296.10 g/mol.
Where can I buy 3- -5-FLUOROBENZONITRILE?
You can request a quote for 3- -5-FLUOROBENZONITRILE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3- -5-FLUOROBENZONITRILE?
Yes, KEHONG BIO provides custom synthesis services for 3- -5-FLUOROBENZONITRILE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.