(2S)-2-azaniumyl-2-(3,4-difluorophenyl)acetate
TL;DR: (2S)-2-azaniumyl-2-(3,4-difluorophenyl)acetate (CAS 1241682-16-5) is a chemical compound with molecular formula C8H7F2NO2 and molecular weight 187.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-azaniumyl-2-(3,4-difluorophenyl)acetate
Also Known As: (2S)-2-azaniumyl-2-(3,4-difluorophenyl)acetate
| Molecular Formula | C8H7F2NO2 |
|---|---|
| Molecular Weight | 187.04 g/mol |
| LogP | -1.0023 |
| Topological Polar Surface Area | 67.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.04448 |
| Heavy Atoms | 13 |
| Complexity | 340.91595 |
Chemical Identifiers
| CAS Number | 1241682-16-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1[C@@H](C(=O)[O-])[NH3+])F)F |
Product Overview
(2S)-2-azaniumyl-2-(3,4-difluorophenyl)acetate (CAS 1241682-16-5), with molecular formula C8H7F2NO2 and molecular weight 187.04 g/mol. IUPAC: (2S)-2-azaniumyl-2-(3,4-difluorophenyl)acetate.
Chemical Property Profile of (2S)-2-azaniumyl-2-(3,4-difluorophenyl)acetate
Property Insights of (2S)-2-azaniumyl-2-(3,4-difluorophenyl)acetate
The XLogP value of -1.0023 indicates that (2S)-2-azaniumyl-2-(3,4-difluorophenyl)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.77 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-azaniumyl-2-(3,4-difluorophenyl)acetate. Following Lipinski's Rule of Five, (2S)-2-azaniumyl-2-(3,4-difluorophenyl)acetate has 1 hydrogen bond donor(s) and 2 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 (2S)-2-azaniumyl-2-(3,4-difluorophenyl)acetate?
The CAS number of (2S)-2-azaniumyl-2-(3,4-difluorophenyl)acetate is 1241682-16-5.
What is the molecular formula of (2S)-2-azaniumyl-2-(3,4-difluorophenyl)acetate?
The molecular formula of (2S)-2-azaniumyl-2-(3,4-difluorophenyl)acetate is C8H7F2NO2.
What is the molecular weight of (2S)-2-azaniumyl-2-(3,4-difluorophenyl)acetate?
The molecular weight of (2S)-2-azaniumyl-2-(3,4-difluorophenyl)acetate is 187.04 g/mol.
Where can I buy (2S)-2-azaniumyl-2-(3,4-difluorophenyl)acetate?
You can request a quote for (2S)-2-azaniumyl-2-(3,4-difluorophenyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-azaniumyl-2-(3,4-difluorophenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-azaniumyl-2-(3,4-difluorophenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.