![2-[(2,4-dichlorobenzyl)sulfanyl]-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one structure](/static/products/384/384353-83-7.png)
2-[(2,4-dichlorobenzyl)sulfanyl]-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
TL;DR: 2-[(2,4-dichlorobenzyl)sulfanyl]-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one (CAS 384353-83-7) is a chemical compound with molecular formula C27H26Cl2N2OS and molecular weight 496.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,4-dichlorophenyl)methylsulfanyl]-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: 2-[(2,4-dichlorobenzyl)sulfanyl]-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, 2-[(2,4-dichlorophenyl)methylsulfanyl]-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one, 3-allyl-2-((2,4-dichlorobenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
| Molecular Formula | C27H26Cl2N2OS |
|---|---|
| Molecular Weight | 496.11 g/mol |
| LogP | 7.4534 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.1143 |
| Heavy Atoms | 33 |
| Complexity | 1277.5984 |
Chemical Identifiers
| CAS Number | 384353-83-7 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5=C(C=C(C=C5)Cl)Cl |
Product Overview
2-[(2,4-dichlorobenzyl)sulfanyl]-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one (CAS 384353-83-7), with molecular formula C27H26Cl2N2OS and molecular weight 496.11 g/mol. IUPAC: 2-[(2,4-dichlorophenyl)methylsulfanyl]-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of 2-[(2,4-dichlorobenzyl)sulfanyl]-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Property Insights of 2-[(2,4-dichlorobenzyl)sulfanyl]-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
The XLogP value of 7.4534 indicates that 2-[(2,4-dichlorobenzyl)sulfanyl]-3-(prop-2-en-1-yl)-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 34.89 Ų, 2-[(2,4-dichlorobenzyl)sulfanyl]-3-(prop-2-en-1-yl)-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, 2-[(2,4-dichlorobenzyl)sulfanyl]-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one 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 2-[(2,4-dichlorobenzyl)sulfanyl]-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
The CAS number of 2-[(2,4-dichlorobenzyl)sulfanyl]-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one is 384353-83-7.
What is the molecular formula of 2-[(2,4-dichlorobenzyl)sulfanyl]-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
The molecular formula of 2-[(2,4-dichlorobenzyl)sulfanyl]-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one is C27H26Cl2N2OS.
What is the molecular weight of 2-[(2,4-dichlorobenzyl)sulfanyl]-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
The molecular weight of 2-[(2,4-dichlorobenzyl)sulfanyl]-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one is 496.11 g/mol.
Where can I buy 2-[(2,4-dichlorobenzyl)sulfanyl]-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
You can request a quote for 2-[(2,4-dichlorobenzyl)sulfanyl]-3-(prop-2-en-1-yl)-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 2-[(2,4-dichlorobenzyl)sulfanyl]-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,4-dichlorobenzyl)sulfanyl]-3-(prop-2-en-1-yl)-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.