dimethyl 2-(2-((5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)terephthalate
TL;DR: dimethyl 2-(2-((5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)terephthalate (CAS 823825-77-0) is a chemical compound with molecular formula C18H15N3O7S and molecular weight 417.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-(2-((5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)terephthalate, dimethyl 2-[({[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]benzene-1,4-dicarboxylate, dimethyl 2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate
| Molecular Formula | C18H15N3O7S |
|---|---|
| Molecular Weight | 417.06 g/mol |
| LogP | 2.6336 |
| Topological Polar Surface Area | 133.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.06308 |
| Heavy Atoms | 29 |
| Complexity | 1030.0166 |
Chemical Identifiers
| CAS Number | 823825-77-0 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSC2=NN=C(O2)C3=CC=CO3 |
Product Overview
dimethyl 2-(2-((5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)terephthalate (CAS 823825-77-0), with molecular formula C18H15N3O7S and molecular weight 417.06 g/mol. IUPAC: dimethyl 2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of dimethyl 2-(2-((5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)terephthalate
Property Insights of dimethyl 2-(2-((5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)terephthalate
The XLogP value of 2.6336 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 2-(2-((5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)terephthalate. The TPSA of 133.76 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 2-(2-((5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)terephthalate. Following Lipinski's Rule of Five, dimethyl 2-(2-((5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)terephthalate has 1 hydrogen bond donor(s) and 10 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 dimethyl 2-(2-((5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)terephthalate?
The CAS number of dimethyl 2-(2-((5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)terephthalate is 823825-77-0.
What is the molecular formula of dimethyl 2-(2-((5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)terephthalate?
The molecular formula of dimethyl 2-(2-((5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)terephthalate is C18H15N3O7S.
What is the molecular weight of dimethyl 2-(2-((5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)terephthalate?
The molecular weight of dimethyl 2-(2-((5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)terephthalate is 417.06 g/mol.
Where can I buy dimethyl 2-(2-((5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)terephthalate?
You can request a quote for dimethyl 2-(2-((5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)terephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 2-(2-((5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)terephthalate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-(2-((5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.