![N-[2-(1-azepanyl)phenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide structure](/static/products/6047/604795-50-8.webp)
N-[2-(1-azepanyl)phenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide
TL;DR: N-[2-(1-azepanyl)phenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide (CAS 604795-50-8) is a chemical compound with molecular formula C21H23N3O2S and molecular weight 381.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(azepan-1-yl)phenyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
Also Known As: N-[2-(1-azepanyl)phenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide, N-[2-(azepan-1-yl)phenyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide, N-[2-(1-Azepanyl)phenyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide, N-(2-Azepan-1-yl-phenyl)-2-(benzooxazol-2-ylsulfanyl)-acetamide, (4R)-Methyl-4-[2-(thiophen-2-yl)ethenyl]oxazolidin-2-one
| Molecular Formula | C21H23N3O2S |
|---|---|
| Molecular Weight | 381.15 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.1511 |
| Heavy Atoms | 27 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 604795-50-8 |
|---|---|
| SMILES | C1CCCN(CC1)C2=CC=CC=C2NC(=O)CSC3=NC4=CC=CC=C4O3 |
| InChIKey | YZVPKTNHPGPCIU-UHFFFAOYSA-N |
Product Overview
N-[2-(1-azepanyl)phenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide (CAS 604795-50-8), with molecular formula C21H23N3O2S and molecular weight 381.15 g/mol. IUPAC: N-[2-(azepan-1-yl)phenyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide.
Chemical Property Profile of N-[2-(1-azepanyl)phenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide
Property Insights of N-[2-(1-azepanyl)phenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide
The XLogP value of 4.8 indicates that N-[2-(1-azepanyl)phenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(1-azepanyl)phenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide. Following Lipinski's Rule of Five, N-[2-(1-azepanyl)phenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide has 1 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 N-[2-(1-azepanyl)phenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide?
The CAS number of N-[2-(1-azepanyl)phenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide is 604795-50-8.
What is the molecular formula of N-[2-(1-azepanyl)phenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide?
The molecular formula of N-[2-(1-azepanyl)phenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide is C21H23N3O2S.
What is the molecular weight of N-[2-(1-azepanyl)phenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide?
The molecular weight of N-[2-(1-azepanyl)phenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide is 381.15 g/mol.
Where can I buy N-[2-(1-azepanyl)phenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide?
You can request a quote for N-[2-(1-azepanyl)phenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(1-azepanyl)phenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(1-azepanyl)phenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.