2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)ethanethioamide
TL;DR: 2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)ethanethioamide (CAS 100695-75-8) is a chemical compound with molecular formula C18H18N2OS and molecular weight 310.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,2-benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)ethanethioamide
Also Known As: 2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)ethanethioamide, (1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)ethanethioamide, 1,2-Benzisoxazole-3-acetamide,5-methoxy-N-(1-methyl-1-phenylethyl), 2-benzo[d]isoxazol-3-yl-N-(2-phenylpropan-2-yl)ethanethioamide
| Molecular Formula | C18H18N2OS |
|---|---|
| Molecular Weight | 310.11 g/mol |
| LogP | 4.2226 |
| Topological Polar Surface Area | 38.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.11398 |
| Heavy Atoms | 22 |
| Complexity | 792.9671 |
Chemical Identifiers
| CAS Number | 100695-75-8 |
|---|---|
| SMILES | CC(C)(C1=CC=CC=C1)NC(=S)CC2=NOC3=CC=CC=C32 |
Product Overview
2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)ethanethioamide (CAS 100695-75-8), with molecular formula C18H18N2OS and molecular weight 310.11 g/mol. IUPAC: 2-(1,2-benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)ethanethioamide.
Chemical Property Profile of 2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)ethanethioamide
Property Insights of 2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)ethanethioamide
The XLogP value of 4.2226 indicates that 2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)ethanethioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.06 Ų, 2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)ethanethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)ethanethioamide has 1 hydrogen bond donor(s) and 3 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-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)ethanethioamide?
The CAS number of 2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)ethanethioamide is 100695-75-8.
What is the molecular formula of 2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)ethanethioamide?
The molecular formula of 2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)ethanethioamide is C18H18N2OS.
What is the molecular weight of 2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)ethanethioamide?
The molecular weight of 2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)ethanethioamide is 310.11 g/mol.
Where can I buy 2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)ethanethioamide?
You can request a quote for 2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)ethanethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)ethanethioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)ethanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.