![2-(2-hydroxyethylsulfanyl)-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one structure](/static/products/824/824980-86-1.png)
2-(2-hydroxyethylsulfanyl)-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
TL;DR: 2-(2-hydroxyethylsulfanyl)-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one (CAS 824980-86-1) is a chemical compound with molecular formula C26H28N2O3S and molecular weight 448.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxyethylsulfanyl)-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: 2-(2-hydroxyethylsulfanyl)-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one, 2-((2-hydroxyethyl)thio)-3-(3-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, 2-[(2-hydroxyethyl)sulfanyl]-3-(3-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, 2-[(2-HYDROXYETHYL)SULFANYL]-3-(3-METHOXYPHENYL)-4,6-DIHYDRO-3H-SPIRO[BENZO[H]QUINAZOLINE-5,1'-CYCLOHEXAN]-4-ONE
| Molecular Formula | C26H28N2O3S |
|---|---|
| Molecular Weight | 448.18 g/mol |
| LogP | 4.7505 |
| Topological Polar Surface Area | 64.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.18207 |
| Heavy Atoms | 32 |
| Complexity | 1197.9166 |
Chemical Identifiers
| CAS Number | 824980-86-1 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCCO |
Product Overview
2-(2-hydroxyethylsulfanyl)-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one (CAS 824980-86-1), with molecular formula C26H28N2O3S and molecular weight 448.18 g/mol. IUPAC: 2-(2-hydroxyethylsulfanyl)-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of 2-(2-hydroxyethylsulfanyl)-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Property Insights of 2-(2-hydroxyethylsulfanyl)-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
The XLogP value of 4.7505 indicates that 2-(2-hydroxyethylsulfanyl)-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-hydroxyethylsulfanyl)-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one. Following Lipinski's Rule of Five, 2-(2-hydroxyethylsulfanyl)-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2-hydroxyethylsulfanyl)-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The CAS number of 2-(2-hydroxyethylsulfanyl)-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one is 824980-86-1.
What is the molecular formula of 2-(2-hydroxyethylsulfanyl)-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The molecular formula of 2-(2-hydroxyethylsulfanyl)-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one is C26H28N2O3S.
What is the molecular weight of 2-(2-hydroxyethylsulfanyl)-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The molecular weight of 2-(2-hydroxyethylsulfanyl)-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one is 448.18 g/mol.
Where can I buy 2-(2-hydroxyethylsulfanyl)-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
You can request a quote for 2-(2-hydroxyethylsulfanyl)-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-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-hydroxyethylsulfanyl)-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-hydroxyethylsulfanyl)-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.