![2-((3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N,N-dipropylacetamide structure](/static/products/799/799802-53-2.png)
2-((3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N,N-dipropylacetamide
TL;DR: 2-((3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N,N-dipropylacetamide (CAS 799802-53-2) is a chemical compound with molecular formula C31H37N3O2S and molecular weight 515.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-benzyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanyl-N,N-dipropylacetamide
Also Known As: 2-((3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N,N-dipropylacetamide, 2-(3-benzyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanyl-N,N-dipropylacetamide, 2-[(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]-N,N-dipropylacetamide
| Molecular Formula | C31H37N3O2S |
|---|---|
| Molecular Weight | 515.26 g/mol |
| LogP | 6.0672 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 515.2606 |
| Heavy Atoms | 37 |
| Complexity | 1305.7736 |
Chemical Identifiers
| CAS Number | 799802-53-2 |
|---|---|
| SMILES | CCCN(CCC)C(=O)CSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C4(CCCC4)CC5=CC=CC=C52 |
Product Overview
2-((3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N,N-dipropylacetamide (CAS 799802-53-2), with molecular formula C31H37N3O2S and molecular weight 515.26 g/mol. IUPAC: 2-(3-benzyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanyl-N,N-dipropylacetamide.
Chemical Property Profile of 2-((3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N,N-dipropylacetamide
Property Insights of 2-((3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N,N-dipropylacetamide
The XLogP value of 6.0672 indicates that 2-((3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N,N-dipropylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, 2-((3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N,N-dipropylacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N,N-dipropylacetamide has 0 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-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N,N-dipropylacetamide?
The CAS number of 2-((3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N,N-dipropylacetamide is 799802-53-2.
What is the molecular formula of 2-((3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N,N-dipropylacetamide?
The molecular formula of 2-((3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N,N-dipropylacetamide is C31H37N3O2S.
What is the molecular weight of 2-((3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N,N-dipropylacetamide?
The molecular weight of 2-((3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N,N-dipropylacetamide is 515.26 g/mol.
Where can I buy 2-((3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N,N-dipropylacetamide?
You can request a quote for 2-((3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N,N-dipropylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N,N-dipropylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N,N-dipropylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.