3-Fluorobenzaldoxime
TL;DR: 3-Fluorobenzaldoxime (CAS 458-02-6) is a chemical compound with molecular formula C7H6FNO and molecular weight 139.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NE)-N-[(3-fluorophenyl)methylidene]hydroxylamine
Also Known As: 3-Fluorobenzaldoxime, 3-Fluorobenzaldehyde oxime, (E)-3-fluorobenzaldehyde oxime, 2,5-Dichlorobenzyl alcohol, Benzaldehyde,3-fluoro-, oxime
| Molecular Formula | C7H6FNO |
|---|---|
| Molecular Weight | 139.04 g/mol |
| LogP | 1.6338 |
| Topological Polar Surface Area | 32.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 139.04333 |
| Heavy Atoms | 10 |
| Complexity | 247.11635 |
Chemical Identifiers
| CAS Number | 458-02-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)/C=N/O |
Product Overview
3-Fluorobenzaldoxime (CAS 458-02-6), with molecular formula C7H6FNO and molecular weight 139.04 g/mol. IUPAC: (NE)-N-[(3-fluorophenyl)methylidene]hydroxylamine.
Chemical Property Profile of 3-Fluorobenzaldoxime
Property Insights of 3-Fluorobenzaldoxime
The XLogP value of 1.6338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluorobenzaldoxime. With a topological polar surface area (TPSA) of 32.59 Ų, 3-Fluorobenzaldoxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluorobenzaldoxime has 1 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 3-Fluorobenzaldoxime?
The CAS number of 3-Fluorobenzaldoxime is 458-02-6.
What is the molecular formula of 3-Fluorobenzaldoxime?
The molecular formula of 3-Fluorobenzaldoxime is C7H6FNO.
What is the molecular weight of 3-Fluorobenzaldoxime?
The molecular weight of 3-Fluorobenzaldoxime is 139.04 g/mol.
Where can I buy 3-Fluorobenzaldoxime?
You can request a quote for 3-Fluorobenzaldoxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluorobenzaldoxime?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluorobenzaldoxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.