对硝基苯甲酸氟乙酰甲酯
TL;DR: 对硝基苯甲酸氟乙酰甲酯 (CAS 62522-66-1) is a chemical compound with molecular formula C10H8FNO5 and molecular weight 241.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对硝基苯甲酸氟乙酰甲酯
(3-fluoro-2-oxopropyl) 4-nitrobenzoate
Also Known As: p-Nitrobenzoic acid fluoroacetylmethyl ester, (3-fluoro-2-oxopropyl) 4-nitrobenzoate, 3-fluoro-2-oxopropyl 4-nitrobenzoate, 3-Fluoro-2-oxopropyl=p-nitrobenzoate, BENZOIC ACID, p-NITRO-, FLUOROACETYLMETHYL ESTER
| Molecular Formula | C10H8FNO5 |
|---|---|
| Molecular Weight | 241.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 241.03865 |
| Heavy Atoms | 17 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 62522-66-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OCC(=O)CF)[N+](=O)[O-] |
| InChIKey | RINGFEANYXFKDL-UHFFFAOYSA-N |
Product Overview
对硝基苯甲酸氟乙酰甲酯 (CAS 62522-66-1), with molecular formula C10H8FNO5 and molecular weight 241.04 g/mol. IUPAC: (3-fluoro-2-oxopropyl) 4-nitrobenzoate.
Chemical Property Profile of 对硝基苯甲酸氟乙酰甲酯
Property Insights of 对硝基苯甲酸氟乙酰甲酯
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 对硝基苯甲酸氟乙酰甲酯. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 对硝基苯甲酸氟乙酰甲酯. Following Lipinski's Rule of Five, 对硝基苯甲酸氟乙酰甲酯 has 0 hydrogen bond donor(s) and 6 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 对硝基苯甲酸氟乙酰甲酯?
The CAS number of 对硝基苯甲酸氟乙酰甲酯 is 62522-66-1.
What is the molecular formula of 对硝基苯甲酸氟乙酰甲酯?
The molecular formula of 对硝基苯甲酸氟乙酰甲酯 is C10H8FNO5.
What is the molecular weight of 对硝基苯甲酸氟乙酰甲酯?
The molecular weight of 对硝基苯甲酸氟乙酰甲酯 is 241.04 g/mol.
Where can I buy 对硝基苯甲酸氟乙酰甲酯?
You can request a quote for 对硝基苯甲酸氟乙酰甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对硝基苯甲酸氟乙酰甲酯?
Yes, KEHONG BIO provides custom synthesis services for 对硝基苯甲酸氟乙酰甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.