methyl 5-(1,3-benzodioxole-5-carbonylamino)-4-carbamoyl-3-methylthiophene-2-carboxylate
TL;DR: methyl 5-(1,3-benzodioxole-5-carbonylamino)-4-carbamoyl-3-methylthiophene-2-carboxylate (CAS 353476-45-6) is a chemical compound with molecular formula C16H14N2O6S and molecular weight 362.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(1,3-benzodioxole-5-carbonylamino)-4-carbamoyl-3-methylthiophene-2-carboxylate
Also Known As: methyl 5-(1,3-benzodioxole-5-carbonylamino)-4-carbamoyl-3-methylthiophene-2-carboxylate, methyl 4-(aminocarbonyl)-5-[(1,3-benzodioxol-5-ylcarbonyl)amino]-3-methyl-2-thiophenecarboxylate, methyl 5-(2H-1,3-benzodioxole-5-amido)-4-carbamoyl-3-methylthiophene-2-carboxylate, methyl 5-[(1,3-benzodioxol-5-ylcarbonyl)amino]-4-carbamoyl-3-methylthiophene-2-carboxylate, methyl 5-(2H-benzo[3,4-d]1,3-dioxolan-5-ylcarbonylamino)-4-carbamoyl-3-methylt hiophene-2-carboxylate
| Molecular Formula | C16H14N2O6S |
|---|---|
| Molecular Weight | 362.06 g/mol |
| LogP | 1.92302 |
| Topological Polar Surface Area | 116.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.05725 |
| Heavy Atoms | 25 |
| Complexity | 888.99036 |
Chemical Identifiers
| CAS Number | 353476-45-6 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)OC |
Product Overview
methyl 5-(1,3-benzodioxole-5-carbonylamino)-4-carbamoyl-3-methylthiophene-2-carboxylate (CAS 353476-45-6), with molecular formula C16H14N2O6S and molecular weight 362.06 g/mol. IUPAC: methyl 5-(1,3-benzodioxole-5-carbonylamino)-4-carbamoyl-3-methylthiophene-2-carboxylate.
Chemical Property Profile of methyl 5-(1,3-benzodioxole-5-carbonylamino)-4-carbamoyl-3-methylthiophene-2-carboxylate
Property Insights of methyl 5-(1,3-benzodioxole-5-carbonylamino)-4-carbamoyl-3-methylthiophene-2-carboxylate
The XLogP value of 1.92302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-(1,3-benzodioxole-5-carbonylamino)-4-carbamoyl-3-methylthiophene-2-carboxylate. The TPSA of 116.95 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-(1,3-benzodioxole-5-carbonylamino)-4-carbamoyl-3-methylthiophene-2-carboxylate. Following Lipinski's Rule of Five, methyl 5-(1,3-benzodioxole-5-carbonylamino)-4-carbamoyl-3-methylthiophene-2-carboxylate has 2 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 5-(1,3-benzodioxole-5-carbonylamino)-4-carbamoyl-3-methylthiophene-2-carboxylate?
The CAS number of methyl 5-(1,3-benzodioxole-5-carbonylamino)-4-carbamoyl-3-methylthiophene-2-carboxylate is 353476-45-6.
What is the molecular formula of methyl 5-(1,3-benzodioxole-5-carbonylamino)-4-carbamoyl-3-methylthiophene-2-carboxylate?
The molecular formula of methyl 5-(1,3-benzodioxole-5-carbonylamino)-4-carbamoyl-3-methylthiophene-2-carboxylate is C16H14N2O6S.
What is the molecular weight of methyl 5-(1,3-benzodioxole-5-carbonylamino)-4-carbamoyl-3-methylthiophene-2-carboxylate?
The molecular weight of methyl 5-(1,3-benzodioxole-5-carbonylamino)-4-carbamoyl-3-methylthiophene-2-carboxylate is 362.06 g/mol.
Where can I buy methyl 5-(1,3-benzodioxole-5-carbonylamino)-4-carbamoyl-3-methylthiophene-2-carboxylate?
You can request a quote for methyl 5-(1,3-benzodioxole-5-carbonylamino)-4-carbamoyl-3-methylthiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-(1,3-benzodioxole-5-carbonylamino)-4-carbamoyl-3-methylthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-(1,3-benzodioxole-5-carbonylamino)-4-carbamoyl-3-methylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.