Ethyl 2-(3,4-difluoroanilino)acetate
TL;DR: Ethyl 2-(3,4-difluoroanilino)acetate (CAS 2445-88-7) is a chemical compound with molecular formula C10H11F2NO2 and molecular weight 215.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3,4-difluoroanilino)acetate
Also Known As: ethyl 2-(3,4-difluoroanilino)acetate, ethyl N-(3,4-difluorophenyl)glycinate, N-(3,4-Difluorophenyl)glycine ethyl ester, Glycine, N-(3,4-difluorophenyl)-, ethyl ester
| Molecular Formula | C10H11F2NO2 |
|---|---|
| Molecular Weight | 215.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 215.07579 |
| Heavy Atoms | 15 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 2445-88-7 |
|---|---|
| SMILES | CCOC(=O)CNC1=CC(=C(C=C1)F)F |
| InChIKey | BWUWJHYMSOBSBP-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(3,4-difluoroanilino)acetate (CAS 2445-88-7), with molecular formula C10H11F2NO2 and molecular weight 215.08 g/mol. IUPAC: ethyl 2-(3,4-difluoroanilino)acetate.
Chemical Property Profile of Ethyl 2-(3,4-difluoroanilino)acetate
Property Insights of Ethyl 2-(3,4-difluoroanilino)acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(3,4-difluoroanilino)acetate. With a topological polar surface area (TPSA) of 38.3 Ų, Ethyl 2-(3,4-difluoroanilino)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(3,4-difluoroanilino)acetate has 1 hydrogen bond donor(s) and 5 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 Ethyl 2-(3,4-difluoroanilino)acetate?
The CAS number of Ethyl 2-(3,4-difluoroanilino)acetate is 2445-88-7.
What is the molecular formula of Ethyl 2-(3,4-difluoroanilino)acetate?
The molecular formula of Ethyl 2-(3,4-difluoroanilino)acetate is C10H11F2NO2.
What is the molecular weight of Ethyl 2-(3,4-difluoroanilino)acetate?
The molecular weight of Ethyl 2-(3,4-difluoroanilino)acetate is 215.08 g/mol.
Where can I buy Ethyl 2-(3,4-difluoroanilino)acetate?
You can request a quote for Ethyl 2-(3,4-difluoroanilino)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(3,4-difluoroanilino)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3,4-difluoroanilino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.