![methyl 2-[[5-(1,3-benzodioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate structure](/static/products/476/476465-54-0.png)
methyl 2-[[5-(1,3-benzodioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
TL;DR: methyl 2-[[5-(1,3-benzodioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate (CAS 476465-54-0) is a chemical compound with molecular formula C13H11N3O5S2 and molecular weight 353.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-(1,3-benzodioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
Also Known As: methyl 2-[[5-(1,3-benzodioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate, methyl 2-{[5-(2H-1,3-benzodioxole-5-amido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate, methyl 2-((5-(benzo[d][1,3]dioxole-5-carboxamido)-1,3,4-thiadiazol-2-yl)thio)acetate, Methyl ({5-[(2H-1,3-benzodioxole-5-carbonyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate
| Molecular Formula | C13H11N3O5S2 |
|---|---|
| Molecular Weight | 353.01 g/mol |
| LogP | 1.7842 |
| Topological Polar Surface Area | 99.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.014 |
| Heavy Atoms | 23 |
| Complexity | 748.96124 |
Chemical Identifiers
| CAS Number | 476465-54-0 |
|---|---|
| SMILES | COC(=O)CSC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3 |
Product Overview
methyl 2-[[5-(1,3-benzodioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate (CAS 476465-54-0), with molecular formula C13H11N3O5S2 and molecular weight 353.01 g/mol. IUPAC: methyl 2-[[5-(1,3-benzodioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate.
Chemical Property Profile of methyl 2-[[5-(1,3-benzodioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
Property Insights of methyl 2-[[5-(1,3-benzodioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
The XLogP value of 1.7842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[[5-(1,3-benzodioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate. The TPSA of 99.64 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[[5-(1,3-benzodioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate. Following Lipinski's Rule of Five, methyl 2-[[5-(1,3-benzodioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate has 1 hydrogen bond donor(s) and 9 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-(1,3-benzodioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate?
The CAS number of methyl 2-[[5-(1,3-benzodioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate is 476465-54-0.
What is the molecular formula of methyl 2-[[5-(1,3-benzodioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate?
The molecular formula of methyl 2-[[5-(1,3-benzodioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate is C13H11N3O5S2.
What is the molecular weight of methyl 2-[[5-(1,3-benzodioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate?
The molecular weight of methyl 2-[[5-(1,3-benzodioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate is 353.01 g/mol.
Where can I buy methyl 2-[[5-(1,3-benzodioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate?
You can request a quote for methyl 2-[[5-(1,3-benzodioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]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-(1,3-benzodioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[[5-(1,3-benzodioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.