5-Fluoro-2-nitrobenzoic acid methyl ester
TL;DR: 5-Fluoro-2-nitrobenzoic acid methyl ester (CAS 393-85-1) is a chemical compound with molecular formula C8H6FNO4 and molecular weight 199.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-fluoro-2-nitrobenzoate
Also Known As: Methyl 5-fluoro-2-nitrobenzoate, 2-nitro-5-fluorobenzoic acid, methyl ester, Methyl 5-fluoro-2-nitro-benzoate, 5-fluoro-2-nitrobenzoic acid methyl ester, 4-Bromo-3-propylbenzaldehyde
| Molecular Formula | C8H6FNO4 |
|---|---|
| Molecular Weight | 199.03 g/mol |
| LogP | 1.5205 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.02809 |
| Heavy Atoms | 14 |
| Complexity | 390.9277 |
Chemical Identifiers
| CAS Number | 393-85-1 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)F)[N+](=O)[O-] |
Product Overview
5-Fluoro-2-nitrobenzoic acid methyl ester (CAS 393-85-1), with molecular formula C8H6FNO4 and molecular weight 199.03 g/mol. IUPAC: methyl 5-fluoro-2-nitrobenzoate.
Chemical Property Profile of 5-Fluoro-2-nitrobenzoic acid methyl ester
Property Insights of 5-Fluoro-2-nitrobenzoic acid methyl ester
The XLogP value of 1.5205 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Fluoro-2-nitrobenzoic acid methyl ester. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Fluoro-2-nitrobenzoic acid methyl ester. Following Lipinski's Rule of Five, 5-Fluoro-2-nitrobenzoic acid methyl ester has 0 hydrogen bond donor(s) and 4 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 5-Fluoro-2-nitrobenzoic acid methyl ester?
The CAS number of 5-Fluoro-2-nitrobenzoic acid methyl ester is 393-85-1.
What is the molecular formula of 5-Fluoro-2-nitrobenzoic acid methyl ester?
The molecular formula of 5-Fluoro-2-nitrobenzoic acid methyl ester is C8H6FNO4.
What is the molecular weight of 5-Fluoro-2-nitrobenzoic acid methyl ester?
The molecular weight of 5-Fluoro-2-nitrobenzoic acid methyl ester is 199.03 g/mol.
Where can I buy 5-Fluoro-2-nitrobenzoic acid methyl ester?
You can request a quote for 5-Fluoro-2-nitrobenzoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Fluoro-2-nitrobenzoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Fluoro-2-nitrobenzoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.