![N-benzyl-2-((3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide structure](/static/products/840/840460-73-3.png)
N-benzyl-2-((3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide
TL;DR: N-benzyl-2-((3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide (CAS 840460-73-3) is a chemical compound with molecular formula C32H31N3O3S and molecular weight 537.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-[3-(4-methoxyphenyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanylacetamide
Also Known As: N-benzyl-2-((3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide, N-benzyl-2-[3-(4-methoxyphenyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanylacetamide, N-benzyl-2-{[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide
| Molecular Formula | C32H31N3O3S |
|---|---|
| Molecular Weight | 537.21 g/mol |
| LogP | 5.6845 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 537.2086 |
| Heavy Atoms | 39 |
| Complexity | 1558.3431 |
Chemical Identifiers
| CAS Number | 840460-73-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC(=O)NCC6=CC=CC=C6 |
Product Overview
N-benzyl-2-((3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide (CAS 840460-73-3), with molecular formula C32H31N3O3S and molecular weight 537.21 g/mol. IUPAC: N-benzyl-2-[3-(4-methoxyphenyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanylacetamide.
Chemical Property Profile of N-benzyl-2-((3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide
Property Insights of N-benzyl-2-((3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide
The XLogP value of 5.6845 indicates that N-benzyl-2-((3-(4-methoxyphenyl)-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 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-2-((3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide. Following Lipinski's Rule of Five, N-benzyl-2-((3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-benzyl-2-((3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide?
The CAS number of N-benzyl-2-((3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide is 840460-73-3.
What is the molecular formula of N-benzyl-2-((3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide?
The molecular formula of N-benzyl-2-((3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide is C32H31N3O3S.
What is the molecular weight of N-benzyl-2-((3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide?
The molecular weight of N-benzyl-2-((3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide is 537.21 g/mol.
Where can I buy N-benzyl-2-((3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide?
You can request a quote for N-benzyl-2-((3-(4-methoxyphenyl)-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-benzyl-2-((3-(4-methoxyphenyl)-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-benzyl-2-((3-(4-methoxyphenyl)-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.