N-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxamide (CAS 866156-13-0) is a chemical compound with molecular formula C18H18N2O4S and molecular weight 358.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxamide, N-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxamide, N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxamide
| Molecular Formula | C18H18N2O4S |
|---|---|
| Molecular Weight | 358.10 g/mol |
| LogP | 2.7796 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.09872 |
| Heavy Atoms | 25 |
| Complexity | 858.511 |
Chemical Identifiers
| CAS Number | 866156-13-0 |
|---|---|
| SMILES | CC1(CN(C1=O)C2=C(SC=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)C |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxamide (CAS 866156-13-0), with molecular formula C18H18N2O4S and molecular weight 358.10 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxamide
The XLogP value of 2.7796 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxamide. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxamide has 1 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 N-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxamide is 866156-13-0.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxamide is C18H18N2O4S.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxamide is 358.10 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.