![3-benzyl-2-((2,4-dichlorobenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one structure](/static/products/799/799782-37-9.png)
3-benzyl-2-((2,4-dichlorobenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
TL;DR: 3-benzyl-2-((2,4-dichlorobenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one (CAS 799782-37-9) is a chemical compound with molecular formula C30H26Cl2N2OS and molecular weight 532.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-[(2,4-dichlorophenyl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: 3-benzyl-2-((2,4-dichlorobenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 3-benzyl-2-[(2,4-dichlorobenzyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 3-benzyl-2-[(2,4-dichlorophenyl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
| Molecular Formula | C30H26Cl2N2OS |
|---|---|
| Molecular Weight | 532.11 g/mol |
| LogP | 7.9256 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 532.1143 |
| Heavy Atoms | 36 |
| Complexity | 1493.0603 |
Chemical Identifiers
| CAS Number | 799782-37-9 |
|---|---|
| SMILES | C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC5=C(C=C(C=C5)Cl)Cl)CC6=CC=CC=C6 |
Product Overview
3-benzyl-2-((2,4-dichlorobenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one (CAS 799782-37-9), with molecular formula C30H26Cl2N2OS and molecular weight 532.11 g/mol. IUPAC: 3-benzyl-2-[(2,4-dichlorophenyl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of 3-benzyl-2-((2,4-dichlorobenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Property Insights of 3-benzyl-2-((2,4-dichlorobenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
The XLogP value of 7.9256 indicates that 3-benzyl-2-((2,4-dichlorobenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 3-benzyl-2-((2,4-dichlorobenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzyl-2-((2,4-dichlorobenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-benzyl-2-((2,4-dichlorobenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
The CAS number of 3-benzyl-2-((2,4-dichlorobenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one is 799782-37-9.
What is the molecular formula of 3-benzyl-2-((2,4-dichlorobenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
The molecular formula of 3-benzyl-2-((2,4-dichlorobenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one is C30H26Cl2N2OS.
What is the molecular weight of 3-benzyl-2-((2,4-dichlorobenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
The molecular weight of 3-benzyl-2-((2,4-dichlorobenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one is 532.11 g/mol.
Where can I buy 3-benzyl-2-((2,4-dichlorobenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
You can request a quote for 3-benzyl-2-((2,4-dichlorobenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-2-((2,4-dichlorobenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-2-((2,4-dichlorobenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.