丁酰氟
TL;DR: 丁酰氟 (CAS 461-53-0) is a chemical compound with molecular formula C4H7FO and molecular weight 90.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁酰氟
butanoyl fluoride
Also Known As: Butanoyl fluoride, Butyryl fluoride, n-Butyrylfluorid, n-butyryl fluoride, 4-Fluorobutyraldehyde
| Molecular Formula | C4H7FO |
|---|---|
| Molecular Weight | 90.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 90.048096 |
| Heavy Atoms | 6 |
| Complexity | 51.0 |
Chemical Identifiers
| CAS Number | 461-53-0 |
|---|---|
| SMILES | CCCC(=O)F |
| InChIKey | GSJWYIDMIRQHMV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁酰氟 (CAS 461-53-0), with molecular formula C4H7FO and molecular weight 90.05 g/mol. IUPAC: butanoyl fluoride.
Chemical Property Profile of 丁酰氟
Property Insights of 丁酰氟
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁酰氟. With a topological polar surface area (TPSA) of 17.1 Ų, 丁酰氟 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁酰氟 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 丁酰氟?
The CAS number of 丁酰氟 is 461-53-0.
What is the molecular formula of 丁酰氟?
The molecular formula of 丁酰氟 is C4H7FO.
What is the molecular weight of 丁酰氟?
The molecular weight of 丁酰氟 is 90.05 g/mol.
Where can I buy 丁酰氟?
You can request a quote for 丁酰氟 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁酰氟?
Yes, KEHONG BIO provides custom synthesis services for 丁酰氟 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.