Ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-phenylthiophene-3-carboxylate
TL;DR: Ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-phenylthiophene-3-carboxylate (CAS 438454-83-2) is a chemical compound with molecular formula C21H17NO5S and molecular weight 395.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-phenylthiophene-3-carboxylate
Also Known As: ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-phenylthiophene-3-carboxylate, ethyl 2-(2H-benzo[3,4-d]1,3-dioxolan-5-ylcarbonylamino)-4-phenylthiophene-3-ca rboxylate, ethyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-4-phenyl-3-thiophenecarboxylate, ethyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-4-phenylthiophene-3-carboxylate
| Molecular Formula | C21H17NO5S |
|---|---|
| Molecular Weight | 395.08 g/mol |
| LogP | 4.5728 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.08273 |
| Heavy Atoms | 28 |
| Complexity | 1028.5302 |
Chemical Identifiers
| CAS Number | 438454-83-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)OCO4 |
Product Overview
Ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-phenylthiophene-3-carboxylate (CAS 438454-83-2), with molecular formula C21H17NO5S and molecular weight 395.08 g/mol. IUPAC: ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-phenylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-phenylthiophene-3-carboxylate
Property Insights of Ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-phenylthiophene-3-carboxylate
The XLogP value of 4.5728 indicates that Ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-phenylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-phenylthiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-phenylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 6 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 Ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-phenylthiophene-3-carboxylate?
The CAS number of Ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-phenylthiophene-3-carboxylate is 438454-83-2.
What is the molecular formula of Ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-phenylthiophene-3-carboxylate?
The molecular formula of Ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-phenylthiophene-3-carboxylate is C21H17NO5S.
What is the molecular weight of Ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-phenylthiophene-3-carboxylate?
The molecular weight of Ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-phenylthiophene-3-carboxylate is 395.08 g/mol.
Where can I buy Ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-phenylthiophene-3-carboxylate?
You can request a quote for Ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-phenylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-phenylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-phenylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.