5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxamide
TL;DR: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxamide (CAS 476368-69-1) is a chemical compound with molecular formula C17H18N2O4S and molecular weight 346.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxamide
Also Known As: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxamide, 5-(benzo[d][1,3]dioxol-5-ylmethyl)-4-methyl-2-propionamidothiophene-3-carboxamide, 5-[(2H-1,3-Benzodioxol-5-yl)methyl]-4-methyl-2-propanamidothiophene-3-carboxamide
| Molecular Formula | C17H18N2O4S |
|---|---|
| Molecular Weight | 346.10 g/mol |
| LogP | 2.82342 |
| Topological Polar Surface Area | 90.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.09872 |
| Heavy Atoms | 24 |
| Complexity | 813.1622 |
Chemical Identifiers
| CAS Number | 476368-69-1 |
|---|---|
| SMILES | CCC(=O)NC1=C(C(=C(S1)CC2=CC3=C(C=C2)OCO3)C)C(=O)N |
Product Overview
5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxamide (CAS 476368-69-1), with molecular formula C17H18N2O4S and molecular weight 346.10 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxamide.
Chemical Property Profile of 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxamide
Property Insights of 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxamide
The XLogP value of 2.82342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxamide. The TPSA of 90.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxamide. Following Lipinski's Rule of Five, 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxamide has 2 hydrogen bond donor(s) and 5 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 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxamide?
The CAS number of 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxamide is 476368-69-1.
What is the molecular formula of 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxamide?
The molecular formula of 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxamide is C17H18N2O4S.
What is the molecular weight of 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxamide?
The molecular weight of 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxamide is 346.10 g/mol.
Where can I buy 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxamide?
You can request a quote for 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.