Methyl 2-((5-((2,6-difluorobenzamido)methyl)-1,3,4-oxadiazol-2-yl)thio)acetate
TL;DR: Methyl 2-((5-((2,6-difluorobenzamido)methyl)-1,3,4-oxadiazol-2-yl)thio)acetate (CAS 921085-88-3) is a chemical compound with molecular formula C13H11F2N3O4S and molecular weight 343.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-[[(2,6-difluorobenzoyl)amino]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
Also Known As: F1885-0719, methyl 2-((5-((2,6-difluorobenzamido)methyl)-1,3,4-oxadiazol-2-yl)thio)acetate, methyl 2-[(5-{[(2,6-difluorophenyl)formamido]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetate, methyl 2-[[5-[[(2,6-difluorobenzoyl)amino]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate, methyl {5-[(2,6-difluorobenzylamino)methyl]-1,3,4-oxadiazol-2-ylthio}acetate
| Molecular Formula | C13H11F2N3O4S |
|---|---|
| Molecular Weight | 343.04 g/mol |
| LogP | 1.5429 |
| Topological Polar Surface Area | 94.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 343.04382 |
| Heavy Atoms | 23 |
| Complexity | 702.74524 |
Chemical Identifiers
| CAS Number | 921085-88-3 |
|---|---|
| SMILES | COC(=O)CSC1=NN=C(O1)CNC(=O)C2=C(C=CC=C2F)F |
Product Overview
Methyl 2-((5-((2,6-difluorobenzamido)methyl)-1,3,4-oxadiazol-2-yl)thio)acetate (CAS 921085-88-3), with molecular formula C13H11F2N3O4S and molecular weight 343.04 g/mol. IUPAC: methyl 2-[[5-[[(2,6-difluorobenzoyl)amino]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.
Chemical Property Profile of Methyl 2-((5-((2,6-difluorobenzamido)methyl)-1,3,4-oxadiazol-2-yl)thio)acetate
Property Insights of Methyl 2-((5-((2,6-difluorobenzamido)methyl)-1,3,4-oxadiazol-2-yl)thio)acetate
The XLogP value of 1.5429 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-((5-((2,6-difluorobenzamido)methyl)-1,3,4-oxadiazol-2-yl)thio)acetate. The TPSA of 94.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-((5-((2,6-difluorobenzamido)methyl)-1,3,4-oxadiazol-2-yl)thio)acetate. Following Lipinski's Rule of Five, Methyl 2-((5-((2,6-difluorobenzamido)methyl)-1,3,4-oxadiazol-2-yl)thio)acetate has 1 hydrogen bond donor(s) and 7 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 Methyl 2-((5-((2,6-difluorobenzamido)methyl)-1,3,4-oxadiazol-2-yl)thio)acetate?
The CAS number of Methyl 2-((5-((2,6-difluorobenzamido)methyl)-1,3,4-oxadiazol-2-yl)thio)acetate is 921085-88-3.
What is the molecular formula of Methyl 2-((5-((2,6-difluorobenzamido)methyl)-1,3,4-oxadiazol-2-yl)thio)acetate?
The molecular formula of Methyl 2-((5-((2,6-difluorobenzamido)methyl)-1,3,4-oxadiazol-2-yl)thio)acetate is C13H11F2N3O4S.
What is the molecular weight of Methyl 2-((5-((2,6-difluorobenzamido)methyl)-1,3,4-oxadiazol-2-yl)thio)acetate?
The molecular weight of Methyl 2-((5-((2,6-difluorobenzamido)methyl)-1,3,4-oxadiazol-2-yl)thio)acetate is 343.04 g/mol.
Where can I buy Methyl 2-((5-((2,6-difluorobenzamido)methyl)-1,3,4-oxadiazol-2-yl)thio)acetate?
You can request a quote for Methyl 2-((5-((2,6-difluorobenzamido)methyl)-1,3,4-oxadiazol-2-yl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-((5-((2,6-difluorobenzamido)methyl)-1,3,4-oxadiazol-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-((5-((2,6-difluorobenzamido)methyl)-1,3,4-oxadiazol-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.