![2-((4-chlorobenzyl)thio)-3-(furan-2-ylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one structure](/static/products/836/836651-92-4.png)
2-((4-chlorobenzyl)thio)-3-(furan-2-ylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
TL;DR: 2-((4-chlorobenzyl)thio)-3-(furan-2-ylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one (CAS 836651-92-4) is a chemical compound with molecular formula C28H25ClN2O2S and molecular weight 488.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: 2-((4-chlorobenzyl)thio)-3-(furan-2-ylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 2-[(4-chlorobenzyl)sulfanyl]-3-(furan-2-ylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 2-[(4-chlorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
| Molecular Formula | C28H25ClN2O2S |
|---|---|
| Molecular Weight | 488.13 g/mol |
| LogP | 6.8652 |
| Topological Polar Surface Area | 48.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 488.13254 |
| Heavy Atoms | 34 |
| Complexity | 1387.1809 |
Chemical Identifiers
| CAS Number | 836651-92-4 |
|---|---|
| SMILES | C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC5=CC=C(C=C5)Cl)CC6=CC=CO6 |
Product Overview
2-((4-chlorobenzyl)thio)-3-(furan-2-ylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one (CAS 836651-92-4), with molecular formula C28H25ClN2O2S and molecular weight 488.13 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of 2-((4-chlorobenzyl)thio)-3-(furan-2-ylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Property Insights of 2-((4-chlorobenzyl)thio)-3-(furan-2-ylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
The XLogP value of 6.8652 indicates that 2-((4-chlorobenzyl)thio)-3-(furan-2-ylmethyl)-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 48.03 Ų, 2-((4-chlorobenzyl)thio)-3-(furan-2-ylmethyl)-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-((4-chlorobenzyl)thio)-3-(furan-2-ylmethyl)-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-((4-chlorobenzyl)thio)-3-(furan-2-ylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
The CAS number of 2-((4-chlorobenzyl)thio)-3-(furan-2-ylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one is 836651-92-4.
What is the molecular formula of 2-((4-chlorobenzyl)thio)-3-(furan-2-ylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
The molecular formula of 2-((4-chlorobenzyl)thio)-3-(furan-2-ylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one is C28H25ClN2O2S.
What is the molecular weight of 2-((4-chlorobenzyl)thio)-3-(furan-2-ylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
The molecular weight of 2-((4-chlorobenzyl)thio)-3-(furan-2-ylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one is 488.13 g/mol.
Where can I buy 2-((4-chlorobenzyl)thio)-3-(furan-2-ylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
You can request a quote for 2-((4-chlorobenzyl)thio)-3-(furan-2-ylmethyl)-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-((4-chlorobenzyl)thio)-3-(furan-2-ylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-chlorobenzyl)thio)-3-(furan-2-ylmethyl)-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.