![2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(p-tolyl)acetamide structure](/static/products/384/384368-72-3.png)
2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(p-tolyl)acetamide
TL;DR: 2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(p-tolyl)acetamide (CAS 384368-72-3) is a chemical compound with molecular formula C29H31N3O2S and molecular weight 485.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methylphenyl)-2-(4-oxo-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetamide
Also Known As: 2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(p-tolyl)acetamide, N-(4-methylphenyl)-2-(4-oxo-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetamide, N-(4-methylphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
| Molecular Formula | C29H31N3O2S |
|---|---|
| Molecular Weight | 485.21 g/mol |
| LogP | 5.89352 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.21368 |
| Heavy Atoms | 35 |
| Complexity | 1320.7438 |
Chemical Identifiers
| CAS Number | 384368-72-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC=C)C4(CCCCC4)CC5=CC=CC=C53 |
Product Overview
2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(p-tolyl)acetamide (CAS 384368-72-3), with molecular formula C29H31N3O2S and molecular weight 485.21 g/mol. IUPAC: N-(4-methylphenyl)-2-(4-oxo-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetamide.
Chemical Property Profile of 2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(p-tolyl)acetamide
Property Insights of 2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(p-tolyl)acetamide
The XLogP value of 5.89352 indicates that 2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(p-tolyl)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 2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(p-tolyl)acetamide. Following Lipinski's Rule of Five, 2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(p-tolyl)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 2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(p-tolyl)acetamide?
The CAS number of 2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(p-tolyl)acetamide is 384368-72-3.
What is the molecular formula of 2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(p-tolyl)acetamide?
The molecular formula of 2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(p-tolyl)acetamide is C29H31N3O2S.
What is the molecular weight of 2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(p-tolyl)acetamide?
The molecular weight of 2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(p-tolyl)acetamide is 485.21 g/mol.
Where can I buy 2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(p-tolyl)acetamide?
You can request a quote for 2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(p-tolyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(p-tolyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(p-tolyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.