![N-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-(((2-(2-fluorophenyl)-5-methyloxazol-4-yl)methyl)sulfinyl)acetamide structure](/static/products/958/958844-53-6.png)
N-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-(((2-(2-fluorophenyl)-5-methyloxazol-4-yl)methyl)sulfinyl)acetamide
TL;DR: N-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-(((2-(2-fluorophenyl)-5-methyloxazol-4-yl)methyl)sulfinyl)acetamide (CAS 958844-53-6) is a chemical compound with molecular formula C21H19FN2O5S and molecular weight 430.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide
Also Known As: N-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-(((2-(2-fluorophenyl)-5-methyloxazol-4-yl)methyl)sulfinyl)acetamide, N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-2-{[2-(2-FLUOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHANESULFINYL}ACETAMIDE, N-(1,3-Benzodioxol-5-ylmethyl)-2-[[[2-(2-fluorophenyl)-5-methyl-4-oxazolyl]methyl]sulfinyl]acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide
| Molecular Formula | C21H19FN2O5S |
|---|---|
| Molecular Weight | 430.10 g/mol |
| LogP | 3.08292 |
| Topological Polar Surface Area | 90.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 430.09988 |
| Heavy Atoms | 30 |
| Complexity | 1114.5262 |
Chemical Identifiers
| CAS Number | 958844-53-6 |
|---|---|
| SMILES | CC1=C(N=C(O1)C2=CC=CC=C2F)CS(=O)CC(=O)NCC3=CC4=C(C=C3)OCO4 |
Product Overview
N-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-(((2-(2-fluorophenyl)-5-methyloxazol-4-yl)methyl)sulfinyl)acetamide (CAS 958844-53-6), with molecular formula C21H19FN2O5S and molecular weight 430.10 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide.
Chemical Property Profile of N-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-(((2-(2-fluorophenyl)-5-methyloxazol-4-yl)methyl)sulfinyl)acetamide
Property Insights of N-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-(((2-(2-fluorophenyl)-5-methyloxazol-4-yl)methyl)sulfinyl)acetamide
The XLogP value of 3.08292 indicates that N-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-(((2-(2-fluorophenyl)-5-methyloxazol-4-yl)methyl)sulfinyl)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-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-(((2-(2-fluorophenyl)-5-methyloxazol-4-yl)methyl)sulfinyl)acetamide. Following Lipinski's Rule of Five, N-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-(((2-(2-fluorophenyl)-5-methyloxazol-4-yl)methyl)sulfinyl)acetamide 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 N-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-(((2-(2-fluorophenyl)-5-methyloxazol-4-yl)methyl)sulfinyl)acetamide?
The CAS number of N-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-(((2-(2-fluorophenyl)-5-methyloxazol-4-yl)methyl)sulfinyl)acetamide is 958844-53-6.
What is the molecular formula of N-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-(((2-(2-fluorophenyl)-5-methyloxazol-4-yl)methyl)sulfinyl)acetamide?
The molecular formula of N-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-(((2-(2-fluorophenyl)-5-methyloxazol-4-yl)methyl)sulfinyl)acetamide is C21H19FN2O5S.
What is the molecular weight of N-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-(((2-(2-fluorophenyl)-5-methyloxazol-4-yl)methyl)sulfinyl)acetamide?
The molecular weight of N-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-(((2-(2-fluorophenyl)-5-methyloxazol-4-yl)methyl)sulfinyl)acetamide is 430.10 g/mol.
Where can I buy N-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-(((2-(2-fluorophenyl)-5-methyloxazol-4-yl)methyl)sulfinyl)acetamide?
You can request a quote for N-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-(((2-(2-fluorophenyl)-5-methyloxazol-4-yl)methyl)sulfinyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-(((2-(2-fluorophenyl)-5-methyloxazol-4-yl)methyl)sulfinyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-(((2-(2-fluorophenyl)-5-methyloxazol-4-yl)methyl)sulfinyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.