二氟硝基乙酸甲酯
TL;DR: 二氟硝基乙酸甲酯 (CAS 428-13-7) is a chemical compound with molecular formula C3H3F2NO4 and molecular weight 155.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二氟硝基乙酸甲酯
methyl 2,2-difluoro-2-nitroacetate
Also Known As: Methyl difluoronitroacetate, methyl difluoro(nitro)acetate, methyl 2,2-difluoro-2-nitroacetate, Difluoronitroaceticacidmethylester, Difluoronitroacetic acid methyl ester
| Molecular Formula | C3H3F2NO4 |
|---|---|
| Molecular Weight | 155.00 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 155.00302 |
| Heavy Atoms | 10 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 428-13-7 |
|---|---|
| SMILES | COC(=O)C([N+](=O)[O-])(F)F |
| InChIKey | WTHNVDSODCAINI-UHFFFAOYSA-N |
Product Overview
二氟硝基乙酸甲酯 (CAS 428-13-7), with molecular formula C3H3F2NO4 and molecular weight 155.00 g/mol. IUPAC: methyl 2,2-difluoro-2-nitroacetate.
Chemical Property Profile of 二氟硝基乙酸甲酯
Property Insights of 二氟硝基乙酸甲酯
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二氟硝基乙酸甲酯. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 二氟硝基乙酸甲酯. Following Lipinski's Rule of Five, 二氟硝基乙酸甲酯 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 二氟硝基乙酸甲酯?
The CAS number of 二氟硝基乙酸甲酯 is 428-13-7.
What is the molecular formula of 二氟硝基乙酸甲酯?
The molecular formula of 二氟硝基乙酸甲酯 is C3H3F2NO4.
What is the molecular weight of 二氟硝基乙酸甲酯?
The molecular weight of 二氟硝基乙酸甲酯 is 155.00 g/mol.
Where can I buy 二氟硝基乙酸甲酯?
You can request a quote for 二氟硝基乙酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二氟硝基乙酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 二氟硝基乙酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.