(Aminocarbonyl)Methyl 2,6-Difluorobenzoate
TL;DR: (Aminocarbonyl)Methyl 2,6-Difluorobenzoate (CAS 81055-59-6) is a chemical compound with molecular formula C9H7F2NO3 and molecular weight 215.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-amino-2-oxoethyl) 2,6-difluorobenzoate
Also Known As: carbamoylmethyl 2,6-difluorobenzoate, (Aminocarbonyl)Methyl 2,6-Difluorobenzoate, (2-amino-2-oxoethyl) 2,6-difluorobenzoate, 2,6-difluoro-benzoic acid, 2-amino-2-oxoethyl ester
| Molecular Formula | C9H7F2NO3 |
|---|---|
| Molecular Weight | 215.04 g/mol |
| LogP | 0.6069 |
| Topological Polar Surface Area | 69.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.0394 |
| Heavy Atoms | 15 |
| Complexity | 386.09396 |
Chemical Identifiers
| CAS Number | 81055-59-6 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)C(=O)OCC(=O)N)F |
Product Overview
(Aminocarbonyl)Methyl 2,6-Difluorobenzoate (CAS 81055-59-6), with molecular formula C9H7F2NO3 and molecular weight 215.04 g/mol. IUPAC: (2-amino-2-oxoethyl) 2,6-difluorobenzoate.
Chemical Property Profile of (Aminocarbonyl)Methyl 2,6-Difluorobenzoate
Property Insights of (Aminocarbonyl)Methyl 2,6-Difluorobenzoate
The XLogP value of 0.6069 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Aminocarbonyl)Methyl 2,6-Difluorobenzoate. The TPSA of 69.39 Ų falls within the moderate polarity range, balancing permeability and solubility for (Aminocarbonyl)Methyl 2,6-Difluorobenzoate. Following Lipinski's Rule of Five, (Aminocarbonyl)Methyl 2,6-Difluorobenzoate has 1 hydrogen bond donor(s) and 3 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 (Aminocarbonyl)Methyl 2,6-Difluorobenzoate?
The CAS number of (Aminocarbonyl)Methyl 2,6-Difluorobenzoate is 81055-59-6.
What is the molecular formula of (Aminocarbonyl)Methyl 2,6-Difluorobenzoate?
The molecular formula of (Aminocarbonyl)Methyl 2,6-Difluorobenzoate is C9H7F2NO3.
What is the molecular weight of (Aminocarbonyl)Methyl 2,6-Difluorobenzoate?
The molecular weight of (Aminocarbonyl)Methyl 2,6-Difluorobenzoate is 215.04 g/mol.
Where can I buy (Aminocarbonyl)Methyl 2,6-Difluorobenzoate?
You can request a quote for (Aminocarbonyl)Methyl 2,6-Difluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Aminocarbonyl)Methyl 2,6-Difluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (Aminocarbonyl)Methyl 2,6-Difluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.