![2-((3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-(m-tolyl)acetamide structure](/static/products/835/835908-58-2.png)
2-((3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-(m-tolyl)acetamide
TL;DR: 2-((3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-(m-tolyl)acetamide (CAS 835908-58-2) 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.
2-[3-(4-methoxyphenyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
Also Known As: 2-((3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-(m-tolyl)acetamide, 2-[3-(4-methoxyphenyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanyl-N-(3-methylphenyl)acetamide, 2-{[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
| Molecular Formula | C32H31N3O3S |
|---|---|
| Molecular Weight | 537.21 g/mol |
| LogP | 6.31522 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 537.2086 |
| Heavy Atoms | 39 |
| Complexity | 1604.2366 |
Chemical Identifiers
| CAS Number | 835908-58-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)OC)C5(CCCC5)CC6=CC=CC=C63 |
Product Overview
2-((3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-(m-tolyl)acetamide (CAS 835908-58-2), with molecular formula C32H31N3O3S and molecular weight 537.21 g/mol. IUPAC: 2-[3-(4-methoxyphenyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanyl-N-(3-methylphenyl)acetamide.
Chemical Property Profile of 2-((3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-(m-tolyl)acetamide
Property Insights of 2-((3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-(m-tolyl)acetamide
The XLogP value of 6.31522 indicates that 2-((3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-(m-tolyl)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 2-((3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-(m-tolyl)acetamide. Following Lipinski's Rule of Five, 2-((3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-(m-tolyl)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 2-((3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-(m-tolyl)acetamide?
The CAS number of 2-((3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-(m-tolyl)acetamide is 835908-58-2.
What is the molecular formula of 2-((3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-(m-tolyl)acetamide?
The molecular formula of 2-((3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-(m-tolyl)acetamide is C32H31N3O3S.
What is the molecular weight of 2-((3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-(m-tolyl)acetamide?
The molecular weight of 2-((3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-(m-tolyl)acetamide is 537.21 g/mol.
Where can I buy 2-((3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-(m-tolyl)acetamide?
You can request a quote for 2-((3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-(m-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-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-(m-tolyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-(m-tolyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.