![2-((4-oxo-3-(m-tolyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide structure](/static/products/836/836636-15-8.png)
2-((4-oxo-3-(m-tolyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide
TL;DR: 2-((4-oxo-3-(m-tolyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide (CAS 836636-15-8) is a chemical compound with molecular formula C25H25N3O2S and molecular weight 431.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(3-methylphenyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanylacetamide
Also Known As: 2-((4-oxo-3-(m-tolyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide, 2-{[3-(3-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide, 2-[3-(3-methylphenyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanylacetamide, N/A
| Molecular Formula | C25H25N3O2S |
|---|---|
| Molecular Weight | 431.17 g/mol |
| LogP | 4.15322 |
| Topological Polar Surface Area | 77.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.16675 |
| Heavy Atoms | 31 |
| Complexity | 1241.7548 |
Chemical Identifiers
| CAS Number | 836636-15-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC(=O)N |
Product Overview
2-((4-oxo-3-(m-tolyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide (CAS 836636-15-8), with molecular formula C25H25N3O2S and molecular weight 431.17 g/mol. IUPAC: 2-[3-(3-methylphenyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanylacetamide.
Chemical Property Profile of 2-((4-oxo-3-(m-tolyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide
Property Insights of 2-((4-oxo-3-(m-tolyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide
The XLogP value of 4.15322 indicates that 2-((4-oxo-3-(m-tolyl)-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 77.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-oxo-3-(m-tolyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide. Following Lipinski's Rule of Five, 2-((4-oxo-3-(m-tolyl)-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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((4-oxo-3-(m-tolyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide?
The CAS number of 2-((4-oxo-3-(m-tolyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide is 836636-15-8.
What is the molecular formula of 2-((4-oxo-3-(m-tolyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide?
The molecular formula of 2-((4-oxo-3-(m-tolyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide is C25H25N3O2S.
What is the molecular weight of 2-((4-oxo-3-(m-tolyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide?
The molecular weight of 2-((4-oxo-3-(m-tolyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide is 431.17 g/mol.
Where can I buy 2-((4-oxo-3-(m-tolyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide?
You can request a quote for 2-((4-oxo-3-(m-tolyl)-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 2-((4-oxo-3-(m-tolyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-oxo-3-(m-tolyl)-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.