![2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-phenylacetamide structure](/static/products/799/799809-21-5.png)
2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-phenylacetamide
TL;DR: 2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-phenylacetamide (CAS 799809-21-5) is a chemical compound with molecular formula C27H27N3O2S and molecular weight 457.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-oxo-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanyl-N-phenylacetamide
Also Known As: 2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-phenylacetamide, 2-(4-oxo-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanyl-N-phenylacetamide, 2-{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}-N-phenylacetamide
| Molecular Formula | C27H27N3O2S |
|---|---|
| Molecular Weight | 457.18 g/mol |
| LogP | 5.195 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.1824 |
| Heavy Atoms | 33 |
| Complexity | 1260.1033 |
Chemical Identifiers
| CAS Number | 799809-21-5 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC(=O)NC5=CC=CC=C5 |
Product Overview
2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-phenylacetamide (CAS 799809-21-5), with molecular formula C27H27N3O2S and molecular weight 457.18 g/mol. IUPAC: 2-(4-oxo-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanyl-N-phenylacetamide.
Chemical Property Profile of 2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-phenylacetamide
Property Insights of 2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-phenylacetamide
The XLogP value of 5.195 indicates that 2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-phenylacetamide 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'-cyclopentan]-2-yl)thio)-N-phenylacetamide. Following Lipinski's Rule of Five, 2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-phenylacetamide 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'-cyclopentan]-2-yl)thio)-N-phenylacetamide?
The CAS number of 2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-phenylacetamide is 799809-21-5.
What is the molecular formula of 2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-phenylacetamide?
The molecular formula of 2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-phenylacetamide is C27H27N3O2S.
What is the molecular weight of 2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-phenylacetamide?
The molecular weight of 2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-phenylacetamide is 457.18 g/mol.
Where can I buy 2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-phenylacetamide?
You can request a quote for 2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-phenylacetamide 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'-cyclopentan]-2-yl)thio)-N-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.