![2-((2,4-dichlorobenzyl)thio)-3-(3-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one structure](/static/products/836/836652-64-3.png)
2-((2,4-dichlorobenzyl)thio)-3-(3-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
TL;DR: 2-((2,4-dichlorobenzyl)thio)-3-(3-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one (CAS 836652-64-3) is a chemical compound with molecular formula C30H26Cl2N2O2S and molecular weight 548.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,4-dichlorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: 2-((2,4-dichlorobenzyl)thio)-3-(3-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 2-[(2,4-dichlorobenzyl)sulfanyl]-3-(3-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 2-[(2,4-dichlorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
| Molecular Formula | C30H26Cl2N2O2S |
|---|---|
| Molecular Weight | 548.11 g/mol |
| LogP | 7.8751 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 548.1092 |
| Heavy Atoms | 37 |
| Complexity | 1559.9542 |
Chemical Identifiers
| CAS Number | 836652-64-3 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC6=C(C=C(C=C6)Cl)Cl |
Product Overview
2-((2,4-dichlorobenzyl)thio)-3-(3-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one (CAS 836652-64-3), with molecular formula C30H26Cl2N2O2S and molecular weight 548.11 g/mol. IUPAC: 2-[(2,4-dichlorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of 2-((2,4-dichlorobenzyl)thio)-3-(3-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Property Insights of 2-((2,4-dichlorobenzyl)thio)-3-(3-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
The XLogP value of 7.8751 indicates that 2-((2,4-dichlorobenzyl)thio)-3-(3-methoxyphenyl)-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 44.12 Ų, 2-((2,4-dichlorobenzyl)thio)-3-(3-methoxyphenyl)-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, 2-((2,4-dichlorobenzyl)thio)-3-(3-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one 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-((2,4-dichlorobenzyl)thio)-3-(3-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
The CAS number of 2-((2,4-dichlorobenzyl)thio)-3-(3-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one is 836652-64-3.
What is the molecular formula of 2-((2,4-dichlorobenzyl)thio)-3-(3-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
The molecular formula of 2-((2,4-dichlorobenzyl)thio)-3-(3-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one is C30H26Cl2N2O2S.
What is the molecular weight of 2-((2,4-dichlorobenzyl)thio)-3-(3-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
The molecular weight of 2-((2,4-dichlorobenzyl)thio)-3-(3-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one is 548.11 g/mol.
Where can I buy 2-((2,4-dichlorobenzyl)thio)-3-(3-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
You can request a quote for 2-((2,4-dichlorobenzyl)thio)-3-(3-methoxyphenyl)-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 2-((2,4-dichlorobenzyl)thio)-3-(3-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((2,4-dichlorobenzyl)thio)-3-(3-methoxyphenyl)-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.