![N-(4-acetamidophenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide structure](/static/products/836/836639-55-5.png)
N-(4-acetamidophenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide
TL;DR: N-(4-acetamidophenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide (CAS 836639-55-5) is a chemical compound with molecular formula C29H32N4O3S and molecular weight 516.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetamidophenyl)-2-(3-ethyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetamide
Also Known As: N-(4-acetamidophenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide, N-(4-acetamidophenyl)-2-(3-ethyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetamide, N-[4-(acetylamino)phenyl]-2-[(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetamide
| Molecular Formula | C29H32N4O3S |
|---|---|
| Molecular Weight | 516.22 g/mol |
| LogP | 5.3774 |
| Topological Polar Surface Area | 93.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 516.2195 |
| Heavy Atoms | 37 |
| Complexity | 1391.251 |
Chemical Identifiers
| CAS Number | 836639-55-5 |
|---|---|
| SMILES | CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC(=O)NC5=CC=C(C=C5)NC(=O)C |
Product Overview
N-(4-acetamidophenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide (CAS 836639-55-5), with molecular formula C29H32N4O3S and molecular weight 516.22 g/mol. IUPAC: N-(4-acetamidophenyl)-2-(3-ethyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetamide.
Chemical Property Profile of N-(4-acetamidophenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide
Property Insights of N-(4-acetamidophenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide
The XLogP value of 5.3774 indicates that N-(4-acetamidophenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.09 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-acetamidophenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(4-acetamidophenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-acetamidophenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide?
The CAS number of N-(4-acetamidophenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide is 836639-55-5.
What is the molecular formula of N-(4-acetamidophenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide?
The molecular formula of N-(4-acetamidophenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide is C29H32N4O3S.
What is the molecular weight of N-(4-acetamidophenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide?
The molecular weight of N-(4-acetamidophenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide is 516.22 g/mol.
Where can I buy N-(4-acetamidophenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide?
You can request a quote for N-(4-acetamidophenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-acetamidophenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-acetamidophenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.