dimethyl 5-(1,3-benzodioxole-5-carbonylamino)-3-methylthiophene-2,4-dicarboxylate
TL;DR: dimethyl 5-(1,3-benzodioxole-5-carbonylamino)-3-methylthiophene-2,4-dicarboxylate (CAS 540758-75-6) is a chemical compound with molecular formula C17H15NO7S and molecular weight 377.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-(1,3-benzodioxole-5-carbonylamino)-3-methylthiophene-2,4-dicarboxylate
Also Known As: dimethyl 5-(1,3-benzodioxole-5-carbonylamino)-3-methylthiophene-2,4-dicarboxylate, dimethyl 5-[(1,3-benzodioxol-5-ylcarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate, dimethyl 5-(benzo[d][1,3]dioxole-5-carboxamido)-3-methylthiophene-2,4-dicarboxylate, dimethyl 5-[(1,3-benzodioxol-5-ylcarbonyl)amino]-3-methylthiophene-2,4-dicarboxylate, methyl 2-(2H-benzo[3,4-d]1,3-dioxolan-5-ylcarbonylamino)-5-(methoxycarbonyl)-4 -methylthiophene-3-carboxylate
| Molecular Formula | C17H15NO7S |
|---|---|
| Molecular Weight | 377.06 g/mol |
| LogP | 2.61072 |
| Topological Polar Surface Area | 100.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.05692 |
| Heavy Atoms | 26 |
| Complexity | 902.7566 |
Chemical Identifiers
| CAS Number | 540758-75-6 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)OC |
Product Overview
dimethyl 5-(1,3-benzodioxole-5-carbonylamino)-3-methylthiophene-2,4-dicarboxylate (CAS 540758-75-6), with molecular formula C17H15NO7S and molecular weight 377.06 g/mol. IUPAC: dimethyl 5-(1,3-benzodioxole-5-carbonylamino)-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of dimethyl 5-(1,3-benzodioxole-5-carbonylamino)-3-methylthiophene-2,4-dicarboxylate
Property Insights of dimethyl 5-(1,3-benzodioxole-5-carbonylamino)-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 2.61072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 5-(1,3-benzodioxole-5-carbonylamino)-3-methylthiophene-2,4-dicarboxylate. The TPSA of 100.16 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 5-(1,3-benzodioxole-5-carbonylamino)-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 5-(1,3-benzodioxole-5-carbonylamino)-3-methylthiophene-2,4-dicarboxylate has 1 hydrogen bond donor(s) and 8 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 5-(1,3-benzodioxole-5-carbonylamino)-3-methylthiophene-2,4-dicarboxylate?
The CAS number of dimethyl 5-(1,3-benzodioxole-5-carbonylamino)-3-methylthiophene-2,4-dicarboxylate is 540758-75-6.
What is the molecular formula of dimethyl 5-(1,3-benzodioxole-5-carbonylamino)-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of dimethyl 5-(1,3-benzodioxole-5-carbonylamino)-3-methylthiophene-2,4-dicarboxylate is C17H15NO7S.
What is the molecular weight of dimethyl 5-(1,3-benzodioxole-5-carbonylamino)-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of dimethyl 5-(1,3-benzodioxole-5-carbonylamino)-3-methylthiophene-2,4-dicarboxylate is 377.06 g/mol.
Where can I buy dimethyl 5-(1,3-benzodioxole-5-carbonylamino)-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for dimethyl 5-(1,3-benzodioxole-5-carbonylamino)-3-methylthiophene-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 5-(1,3-benzodioxole-5-carbonylamino)-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 5-(1,3-benzodioxole-5-carbonylamino)-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.