Spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-4(6H)-one, 3-(phenylmethyl)-2-((phenylmethyl)thio)-
TL;DR: Spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-4(6H)-one, 3-(phenylmethyl)-2-((phenylmethyl)thio)- (CAS 172984-46-2) is a chemical compound with molecular formula C31H30N2OS and molecular weight 478.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-benzylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: Spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-4(6H)-one, 3-(phenylmethyl)-2-((phenylmethyl)thio)-, BAS 00335810, 2,3-Dibenzyl-4-oxo-1,2,3,4,5,6-hexahydrospiro(benzo(h)quinazoline-5,1'-cyclohexane), AE-848/31945064, 3-benzyl-2-benzylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
| Molecular Formula | C31H30N2OS |
|---|---|
| Molecular Weight | 478.21 g/mol |
| LogP | 7.0089 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 478.2079 |
| Heavy Atoms | 35 |
| Complexity | 1388.9196 |
Chemical Identifiers
| CAS Number | 172984-46-2 |
|---|---|
| SMILES | C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC5=CC=CC=C5)CC6=CC=CC=C6 |
Product Overview
Spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-4(6H)-one, 3-(phenylmethyl)-2-((phenylmethyl)thio)- (CAS 172984-46-2), with molecular formula C31H30N2OS and molecular weight 478.21 g/mol. IUPAC: 3-benzyl-2-benzylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of Spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-4(6H)-one, 3-(phenylmethyl)-2-((phenylmethyl)thio)-
Property Insights of Spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-4(6H)-one, 3-(phenylmethyl)-2-((phenylmethyl)thio)-
The XLogP value of 7.0089 indicates that Spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-4(6H)-one, 3-(phenylmethyl)-2-((phenylmethyl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, Spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-4(6H)-one, 3-(phenylmethyl)-2-((phenylmethyl)thio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-4(6H)-one, 3-(phenylmethyl)-2-((phenylmethyl)thio)- 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 Spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-4(6H)-one, 3-(phenylmethyl)-2-((phenylmethyl)thio)-?
The CAS number of Spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-4(6H)-one, 3-(phenylmethyl)-2-((phenylmethyl)thio)- is 172984-46-2.
What is the molecular formula of Spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-4(6H)-one, 3-(phenylmethyl)-2-((phenylmethyl)thio)-?
The molecular formula of Spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-4(6H)-one, 3-(phenylmethyl)-2-((phenylmethyl)thio)- is C31H30N2OS.
What is the molecular weight of Spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-4(6H)-one, 3-(phenylmethyl)-2-((phenylmethyl)thio)-?
The molecular weight of Spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-4(6H)-one, 3-(phenylmethyl)-2-((phenylmethyl)thio)- is 478.21 g/mol.
Where can I buy Spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-4(6H)-one, 3-(phenylmethyl)-2-((phenylmethyl)thio)-?
You can request a quote for Spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-4(6H)-one, 3-(phenylmethyl)-2-((phenylmethyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-4(6H)-one, 3-(phenylmethyl)-2-((phenylmethyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-4(6H)-one, 3-(phenylmethyl)-2-((phenylmethyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.