2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylacetamide
TL;DR: 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylacetamide (CAS 113675-12-0) is a chemical compound with molecular formula C13H16N2O2S and molecular weight 264.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylacetamide
Also Known As: 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylacetamide, BAS 00281072, 2-benzoxazol-2-ylthio-N,N-diethylacetamide, 2-(Benzooxazol-2-ylsulfanyl)-N,N-diethyl-acetamide, 2-(benzo[d]oxazol-2-ylthio)-N,N-diethylacetamide
| Molecular Formula | C13H16N2O2S |
|---|---|
| Molecular Weight | 264.09 g/mol |
| LogP | 2.7883 |
| Topological Polar Surface Area | 46.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.09326 |
| Heavy Atoms | 18 |
| Complexity | 501.5257 |
Chemical Identifiers
| CAS Number | 113675-12-0 |
|---|---|
| SMILES | CCN(CC)C(=O)CSC1=NC2=CC=CC=C2O1 |
Product Overview
2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylacetamide (CAS 113675-12-0), with molecular formula C13H16N2O2S and molecular weight 264.09 g/mol. IUPAC: 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylacetamide.
Chemical Property Profile of 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylacetamide
Property Insights of 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylacetamide
The XLogP value of 2.7883 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylacetamide. With a topological polar surface area (TPSA) of 46.34 Ų, 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylacetamide has 0 hydrogen bond donor(s) and 4 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 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylacetamide?
The CAS number of 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylacetamide is 113675-12-0.
What is the molecular formula of 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylacetamide?
The molecular formula of 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylacetamide is C13H16N2O2S.
What is the molecular weight of 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylacetamide?
The molecular weight of 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylacetamide is 264.09 g/mol.
Where can I buy 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylacetamide?
You can request a quote for 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-diethylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.