methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
TL;DR: methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate (CAS 445015-41-8) is a chemical compound with molecular formula C22H19NO7S and molecular weight 441.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
Also Known As: methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate, METHYL 2-(2H-1,3-BENZODIOXOLE-5-AMIDO)-4-(3,4-DIMETHOXYPHENYL)THIOPHENE-3-CARBOXYLATE, methyl 2-(2H-benzo[3,4-d]1,3-dioxolan-5-ylcarbonylamino)-4-(3,4-dimethoxypheny l)thiophene-3-carboxylate, Methyl 2-(benzo[1,3]dioxole-5-carbonylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate, methyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-4-(3,4-dimethoxyphenyl)-3-thiophenecarboxylate
| Molecular Formula | C22H19NO7S |
|---|---|
| Molecular Weight | 441.09 g/mol |
| LogP | 4.1999 |
| Topological Polar Surface Area | 92.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.08823 |
| Heavy Atoms | 31 |
| Complexity | 1154.7563 |
Chemical Identifiers
| CAS Number | 445015-41-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC4=C(C=C3)OCO4)OC |
Product Overview
methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate (CAS 445015-41-8), with molecular formula C22H19NO7S and molecular weight 441.09 g/mol. IUPAC: methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
Property Insights of methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
The XLogP value of 4.1999 indicates that methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.32 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate 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 methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate?
The CAS number of methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate is 445015-41-8.
What is the molecular formula of methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate?
The molecular formula of methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate is C22H19NO7S.
What is the molecular weight of methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate?
The molecular weight of methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate is 441.09 g/mol.
Where can I buy methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate?
You can request a quote for methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.