N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
TL;DR: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide (CAS 522593-63-1) is a chemical compound with molecular formula C18H14N2O5S and molecular weight 370.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
Also Known As: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide, N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-ylthio)acetamide, N~1~-(6-ACETYL-1,3-BENZODIOXOL-5-YL)-2-(1,3-BENZOXAZOL-2-YLSULFANYL)ACETAMIDE
| Molecular Formula | C18H14N2O5S |
|---|---|
| Molecular Weight | 370.06 g/mol |
| LogP | 3.4899 |
| Topological Polar Surface Area | 90.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.06235 |
| Heavy Atoms | 26 |
| Complexity | 980.98413 |
Chemical Identifiers
| CAS Number | 522593-63-1 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC4=CC=CC=C4O3)OCO2 |
Product Overview
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide (CAS 522593-63-1), with molecular formula C18H14N2O5S and molecular weight 370.06 g/mol. IUPAC: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide.
Chemical Property Profile of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
Property Insights of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
The XLogP value of 3.4899 indicates that N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.66 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide. Following Lipinski's Rule of Five, N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide has 1 hydrogen bond donor(s) and 7 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-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide?
The CAS number of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide is 522593-63-1.
What is the molecular formula of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide?
The molecular formula of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide is C18H14N2O5S.
What is the molecular weight of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide?
The molecular weight of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide is 370.06 g/mol.
Where can I buy N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide?
You can request a quote for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.