1-(2,6-Difluorophenyl)-2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl acetate
TL;DR: 1-(2,6-Difluorophenyl)-2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl acetate (CAS 866009-30-5) is a chemical compound with molecular formula C12H9F2N3O3S and molecular weight 313.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(2,6-difluorophenyl)-2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl] acetate
Also Known As: 1-(2,6-difluorophenyl)-2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl acetate, (2,6-difluorophenyl)[(1,3,4-thiadiazol-2-yl)carbamoyl]methyl acetate, [1-(2,6-difluorophenyl)-2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl] acetate, (2,6-difluorophenyl)[(1,3,4-thiadiazol-2-yl)carbamoyl]methylacetate, I+/--(Acetyloxy)-2,6-difluoro-N-1,3,4-thiadiazol-2-ylbenzeneacetamide
| Molecular Formula | C12H9F2N3O3S |
|---|---|
| Molecular Weight | 313.03 g/mol |
| LogP | 2.0592 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.03326 |
| Heavy Atoms | 21 |
| Complexity | 643.5222 |
Chemical Identifiers
| CAS Number | 866009-30-5 |
|---|---|
| SMILES | CC(=O)OC(C1=C(C=CC=C1F)F)C(=O)NC2=NN=CS2 |
Product Overview
1-(2,6-Difluorophenyl)-2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl acetate (CAS 866009-30-5), with molecular formula C12H9F2N3O3S and molecular weight 313.03 g/mol. IUPAC: [1-(2,6-difluorophenyl)-2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl] acetate.
Chemical Property Profile of 1-(2,6-Difluorophenyl)-2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl acetate
Property Insights of 1-(2,6-Difluorophenyl)-2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl acetate
The XLogP value of 2.0592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,6-Difluorophenyl)-2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl acetate. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,6-Difluorophenyl)-2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl acetate. Following Lipinski's Rule of Five, 1-(2,6-Difluorophenyl)-2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl acetate has 1 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 1-(2,6-Difluorophenyl)-2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl acetate?
The CAS number of 1-(2,6-Difluorophenyl)-2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl acetate is 866009-30-5.
What is the molecular formula of 1-(2,6-Difluorophenyl)-2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl acetate?
The molecular formula of 1-(2,6-Difluorophenyl)-2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl acetate is C12H9F2N3O3S.
What is the molecular weight of 1-(2,6-Difluorophenyl)-2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl acetate?
The molecular weight of 1-(2,6-Difluorophenyl)-2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl acetate is 313.03 g/mol.
Where can I buy 1-(2,6-Difluorophenyl)-2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl acetate?
You can request a quote for 1-(2,6-Difluorophenyl)-2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,6-Difluorophenyl)-2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,6-Difluorophenyl)-2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.