2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyanomethyl)-N-phenylacetamide
TL;DR: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyanomethyl)-N-phenylacetamide (CAS 1111551-99-5) is a chemical compound with molecular formula C17H13N3O2S and molecular weight 323.07 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-(cyanomethyl)-N-phenylacetamide
Also Known As: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyanomethyl)-N-phenylacetamide
| Molecular Formula | C17H13N3O2S |
|---|---|
| Molecular Weight | 323.07 g/mol |
| LogP | 3.47668 |
| Topological Polar Surface Area | 70.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.07285 |
| Heavy Atoms | 23 |
| Complexity | 821.9059 |
Chemical Identifiers
| CAS Number | 1111551-99-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N(CC#N)C(=O)CSC2=NC3=CC=CC=C3O2 |
Product Overview
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyanomethyl)-N-phenylacetamide (CAS 1111551-99-5), with molecular formula C17H13N3O2S and molecular weight 323.07 g/mol. IUPAC: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyanomethyl)-N-phenylacetamide.
Chemical Property Profile of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyanomethyl)-N-phenylacetamide
Property Insights of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyanomethyl)-N-phenylacetamide
The XLogP value of 3.47668 indicates that 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyanomethyl)-N-phenylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyanomethyl)-N-phenylacetamide. Following Lipinski's Rule of Five, 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyanomethyl)-N-phenylacetamide has 0 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 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyanomethyl)-N-phenylacetamide?
The CAS number of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyanomethyl)-N-phenylacetamide is 1111551-99-5.
What is the molecular formula of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyanomethyl)-N-phenylacetamide?
The molecular formula of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyanomethyl)-N-phenylacetamide is C17H13N3O2S.
What is the molecular weight of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyanomethyl)-N-phenylacetamide?
The molecular weight of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyanomethyl)-N-phenylacetamide is 323.07 g/mol.
Where can I buy 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyanomethyl)-N-phenylacetamide?
You can request a quote for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyanomethyl)-N-phenylacetamide 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-(cyanomethyl)-N-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyanomethyl)-N-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.