2-Fluoro-5-formylbenzonitrile
TL;DR: 2-Fluoro-5-formylbenzonitrile (CAS 937598-45-3) is a chemical compound with molecular formula C8H4FNO and molecular weight 149.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-5-formylbenzonitrile
Also Known As: 2-Fluoro-5-formylbenzonitrile, 3-Cyano-4-fluorobenzaldehyde, 4-Fluoro-3-cyanobenzaldehyde, 4-Formylacetanilide, 2-fluoro-5-formyl-benzonitrile
| Molecular Formula | C8H4FNO |
|---|---|
| Molecular Weight | 149.03 g/mol |
| LogP | 1.50988 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 149.0277 |
| Heavy Atoms | 11 |
| Complexity | 327.35422 |
Chemical Identifiers
| CAS Number | 937598-45-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=O)C#N)F |
Product Overview
2-Fluoro-5-formylbenzonitrile (CAS 937598-45-3), with molecular formula C8H4FNO and molecular weight 149.03 g/mol. IUPAC: 2-fluoro-5-formylbenzonitrile.
Chemical Property Profile of 2-Fluoro-5-formylbenzonitrile
Property Insights of 2-Fluoro-5-formylbenzonitrile
The XLogP value of 1.50988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoro-5-formylbenzonitrile. With a topological polar surface area (TPSA) of 40.86 Ų, 2-Fluoro-5-formylbenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-5-formylbenzonitrile has 0 hydrogen bond donor(s) and 2 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 2-Fluoro-5-formylbenzonitrile?
The CAS number of 2-Fluoro-5-formylbenzonitrile is 937598-45-3.
What is the molecular formula of 2-Fluoro-5-formylbenzonitrile?
The molecular formula of 2-Fluoro-5-formylbenzonitrile is C8H4FNO.
What is the molecular weight of 2-Fluoro-5-formylbenzonitrile?
The molecular weight of 2-Fluoro-5-formylbenzonitrile is 149.03 g/mol.
Where can I buy 2-Fluoro-5-formylbenzonitrile?
You can request a quote for 2-Fluoro-5-formylbenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-5-formylbenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-5-formylbenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.