![3-(furan-2-ylmethyl)-2-((3-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one structure](/static/products/799/799786-75-7.png)
3-(furan-2-ylmethyl)-2-((3-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
TL;DR: 3-(furan-2-ylmethyl)-2-((3-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one (CAS 799786-75-7) is a chemical compound with molecular formula C30H30N2O2S and molecular weight 482.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-ylmethyl)-2-[(3-methylphenyl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: 3-(furan-2-ylmethyl)-2-((3-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, 3-(furan-2-ylmethyl)-2-[(3-methylbenzyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, 3-(furan-2-ylmethyl)-2-[(3-methylphenyl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
| Molecular Formula | C30H30N2O2S |
|---|---|
| Molecular Weight | 482.20 g/mol |
| LogP | 6.91032 |
| Topological Polar Surface Area | 48.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 482.2028 |
| Heavy Atoms | 35 |
| Complexity | 1414.7997 |
Chemical Identifiers
| CAS Number | 799786-75-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CSC2=NC3=C(C(=O)N2CC4=CC=CO4)C5(CCCCC5)CC6=CC=CC=C63 |
Product Overview
3-(furan-2-ylmethyl)-2-((3-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one (CAS 799786-75-7), with molecular formula C30H30N2O2S and molecular weight 482.20 g/mol. IUPAC: 3-(furan-2-ylmethyl)-2-[(3-methylphenyl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of 3-(furan-2-ylmethyl)-2-((3-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Property Insights of 3-(furan-2-ylmethyl)-2-((3-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
The XLogP value of 6.91032 indicates that 3-(furan-2-ylmethyl)-2-((3-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-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, 3-(furan-2-ylmethyl)-2-((3-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(furan-2-ylmethyl)-2-((3-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-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 3-(furan-2-ylmethyl)-2-((3-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
The CAS number of 3-(furan-2-ylmethyl)-2-((3-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one is 799786-75-7.
What is the molecular formula of 3-(furan-2-ylmethyl)-2-((3-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
The molecular formula of 3-(furan-2-ylmethyl)-2-((3-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one is C30H30N2O2S.
What is the molecular weight of 3-(furan-2-ylmethyl)-2-((3-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
The molecular weight of 3-(furan-2-ylmethyl)-2-((3-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one is 482.20 g/mol.
Where can I buy 3-(furan-2-ylmethyl)-2-((3-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
You can request a quote for 3-(furan-2-ylmethyl)-2-((3-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-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-(furan-2-ylmethyl)-2-((3-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(furan-2-ylmethyl)-2-((3-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.