Methyl 6-fluoro-3-methyl-2-nitrobenzoate
TL;DR: Methyl 6-fluoro-3-methyl-2-nitrobenzoate (CAS 300394-85-8) is a chemical compound with molecular formula C9H8FNO4 and molecular weight 213.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-fluoro-3-methyl-2-nitrobenzoate
Also Known As: methyl 6-fluoro-3-methyl-2-nitrobenzoate, Methyl 6-fluoro-3-methyl-2-nitro-benzoate
| Molecular Formula | C9H8FNO4 |
|---|---|
| Molecular Weight | 213.04 g/mol |
| LogP | 1.82892 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.04373 |
| Heavy Atoms | 15 |
| Complexity | 430.36566 |
Chemical Identifiers
| CAS Number | 300394-85-8 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)F)C(=O)OC)[N+](=O)[O-] |
Product Overview
Methyl 6-fluoro-3-methyl-2-nitrobenzoate (CAS 300394-85-8), with molecular formula C9H8FNO4 and molecular weight 213.04 g/mol. IUPAC: methyl 6-fluoro-3-methyl-2-nitrobenzoate.
Chemical Property Profile of Methyl 6-fluoro-3-methyl-2-nitrobenzoate
Property Insights of Methyl 6-fluoro-3-methyl-2-nitrobenzoate
The XLogP value of 1.82892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-fluoro-3-methyl-2-nitrobenzoate. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 6-fluoro-3-methyl-2-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 6-fluoro-3-methyl-2-nitrobenzoate 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 Methyl 6-fluoro-3-methyl-2-nitrobenzoate?
The CAS number of Methyl 6-fluoro-3-methyl-2-nitrobenzoate is 300394-85-8.
What is the molecular formula of Methyl 6-fluoro-3-methyl-2-nitrobenzoate?
The molecular formula of Methyl 6-fluoro-3-methyl-2-nitrobenzoate is C9H8FNO4.
What is the molecular weight of Methyl 6-fluoro-3-methyl-2-nitrobenzoate?
The molecular weight of Methyl 6-fluoro-3-methyl-2-nitrobenzoate is 213.04 g/mol.
Where can I buy Methyl 6-fluoro-3-methyl-2-nitrobenzoate?
You can request a quote for Methyl 6-fluoro-3-methyl-2-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 6-fluoro-3-methyl-2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-fluoro-3-methyl-2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.