![N-(3-chloro-2-methylphenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide structure](/static/products/842/842971-10-2.png)
N-(3-chloro-2-methylphenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide
TL;DR: N-(3-chloro-2-methylphenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide (CAS 842971-10-2) is a chemical compound with molecular formula C27H28ClN3O2S and molecular weight 493.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-2-methylphenyl)-2-(3-ethyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetamide
Also Known As: N-(3-chloro-2-methylphenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide, N-(3-chloro-2-methylphenyl)-2-(3-ethyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetamide, N-(3-chloro-2-methylphenyl)-2-[(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetamide, N-(3-Chloro-2-methylphenyl)-2-[[3-ethyl-4-oxospiro[benzo[h]quinazoline-5(3H),1'-cyclopentane]-2(6H)-yl]thio]acetamide, N-(3-Chloro-2-methylphenyl)-2-[[3-ethyl-4-oxospiro[benzo[h]quinazoline-5(3H),1a(2)-cyclopentane]-2(6H)-yl]thio]acetamide
| Molecular Formula | C27H28ClN3O2S |
|---|---|
| Molecular Weight | 493.16 g/mol |
| LogP | 5.99072 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 493.1591 |
| Heavy Atoms | 34 |
| Complexity | 1327.9359 |
Chemical Identifiers
| CAS Number | 842971-10-2 |
|---|---|
| SMILES | CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC(=O)NC5=C(C(=CC=C5)Cl)C |
Product Overview
N-(3-chloro-2-methylphenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide (CAS 842971-10-2), with molecular formula C27H28ClN3O2S and molecular weight 493.16 g/mol. IUPAC: N-(3-chloro-2-methylphenyl)-2-(3-ethyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetamide.
Chemical Property Profile of N-(3-chloro-2-methylphenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide
Property Insights of N-(3-chloro-2-methylphenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide
The XLogP value of 5.99072 indicates that N-(3-chloro-2-methylphenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-chloro-2-methylphenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(3-chloro-2-methylphenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3-chloro-2-methylphenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide?
The CAS number of N-(3-chloro-2-methylphenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide is 842971-10-2.
What is the molecular formula of N-(3-chloro-2-methylphenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide?
The molecular formula of N-(3-chloro-2-methylphenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide is C27H28ClN3O2S.
What is the molecular weight of N-(3-chloro-2-methylphenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide?
The molecular weight of N-(3-chloro-2-methylphenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide is 493.16 g/mol.
Where can I buy N-(3-chloro-2-methylphenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide?
You can request a quote for N-(3-chloro-2-methylphenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-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-(3-chloro-2-methylphenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-2-methylphenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.