![2-(benzylsulfanyl)-3-(furan-2-ylmethyl)-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one structure](/static/products/488/488853-60-7.png)
2-(benzylsulfanyl)-3-(furan-2-ylmethyl)-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
TL;DR: 2-(benzylsulfanyl)-3-(furan-2-ylmethyl)-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one (CAS 488853-60-7) is a chemical compound with molecular formula C29H30N2O2S and molecular weight 470.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-3-(furan-2-ylmethyl)spiro[2,6-dihydro-1H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: 2-(benzylsulfanyl)-3-(furan-2-ylmethyl)-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, 2-(benzylthio)-3-(furan-2-ylmethyl)-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, 2-benzylsulfanyl-3-(furan-2-ylmethyl)spiro[2,6-dihydro-1H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
| Molecular Formula | C29H30N2O2S |
|---|---|
| Molecular Weight | 470.20 g/mol |
| LogP | 6.3463 |
| Topological Polar Surface Area | 45.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 470.2028 |
| Heavy Atoms | 34 |
| Complexity | 1195.8882 |
Chemical Identifiers
| CAS Number | 488853-60-7 |
|---|---|
| SMILES | C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(N4)SCC5=CC=CC=C5)CC6=CC=CO6 |
Product Overview
2-(benzylsulfanyl)-3-(furan-2-ylmethyl)-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one (CAS 488853-60-7), with molecular formula C29H30N2O2S and molecular weight 470.20 g/mol. IUPAC: 2-benzylsulfanyl-3-(furan-2-ylmethyl)spiro[2,6-dihydro-1H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of 2-(benzylsulfanyl)-3-(furan-2-ylmethyl)-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Property Insights of 2-(benzylsulfanyl)-3-(furan-2-ylmethyl)-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
The XLogP value of 6.3463 indicates that 2-(benzylsulfanyl)-3-(furan-2-ylmethyl)-2,3-dihydro-1H-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 45.48 Ų, 2-(benzylsulfanyl)-3-(furan-2-ylmethyl)-2,3-dihydro-1H-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, 2-(benzylsulfanyl)-3-(furan-2-ylmethyl)-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one has 1 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-(benzylsulfanyl)-3-(furan-2-ylmethyl)-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
The CAS number of 2-(benzylsulfanyl)-3-(furan-2-ylmethyl)-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one is 488853-60-7.
What is the molecular formula of 2-(benzylsulfanyl)-3-(furan-2-ylmethyl)-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
The molecular formula of 2-(benzylsulfanyl)-3-(furan-2-ylmethyl)-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one is C29H30N2O2S.
What is the molecular weight of 2-(benzylsulfanyl)-3-(furan-2-ylmethyl)-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
The molecular weight of 2-(benzylsulfanyl)-3-(furan-2-ylmethyl)-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one is 470.20 g/mol.
Where can I buy 2-(benzylsulfanyl)-3-(furan-2-ylmethyl)-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
You can request a quote for 2-(benzylsulfanyl)-3-(furan-2-ylmethyl)-2,3-dihydro-1H-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 2-(benzylsulfanyl)-3-(furan-2-ylmethyl)-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylsulfanyl)-3-(furan-2-ylmethyl)-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.