![methyl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate structure](/static/products/4450/445016-96-6.webp)
methyl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
TL;DR: methyl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate (CAS 445016-96-6) is a chemical compound with molecular formula C23H20N2O7S and molecular weight 468.10 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)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
Also Known As: methyl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate, methyl 2-(2H-benzo[3,4-d]1,3-dioxolan-5-ylcarbonylamino)-5-[N-(4-methoxyphenyl )carbamoyl]-4-methylthiophene-3-carboxylate, methyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-5-[(4-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate, methyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
| Molecular Formula | C23H20N2O7S |
|---|---|
| Molecular Weight | 468.10 g/mol |
| LogP | 4.08502 |
| Topological Polar Surface Area | 112.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 468.09912 |
| Heavy Atoms | 33 |
| Complexity | 1234.352 |
Chemical Identifiers
| CAS Number | 445016-96-6 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=C(C=C4)OC |
Product Overview
methyl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate (CAS 445016-96-6), with molecular formula C23H20N2O7S and molecular weight 468.10 g/mol. IUPAC: methyl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
Property Insights of methyl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
The XLogP value of 4.08502 indicates that methyl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.19 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate has 2 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)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
The CAS number of methyl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate is 445016-96-6.
What is the molecular formula of methyl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
The molecular formula of methyl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate is C23H20N2O7S.
What is the molecular weight of methyl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
The molecular weight of methyl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate is 468.10 g/mol.
Where can I buy methyl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
You can request a quote for methyl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-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)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.