![3-benzyl-2-ethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one structure](/static/products/3135/313519-91-4.webp)
3-benzyl-2-ethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
TL;DR: 3-benzyl-2-ethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one (CAS 313519-91-4) is a chemical compound with molecular formula C25H26N2OS and molecular weight 402.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-ethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: BAS 00327522, 3-benzyl-2-ethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one, 2-(ethylsulfanyl)-3-(phenylmethyl)-5,6-dihydro-4(3H)-oxospiro(benzo[h]quinazoline-5,1'-cyclopentane), 2-ethylthio-3-benzylspiro[3,5,6-trihydrobenzo[h]quinazoline-5,1'-cyclopentane] -4-one, 3-benzyl-2-(ethylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
| Molecular Formula | C25H26N2OS |
|---|---|
| Molecular Weight | 402.18 g/mol |
| LogP | 5.4385 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.17657 |
| Heavy Atoms | 29 |
| Complexity | 1097.5514 |
Chemical Identifiers
| CAS Number | 313519-91-4 |
|---|---|
| SMILES | CCSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C4(CCCC4)CC5=CC=CC=C52 |
Product Overview
3-benzyl-2-ethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one (CAS 313519-91-4), with molecular formula C25H26N2OS and molecular weight 402.18 g/mol. IUPAC: 3-benzyl-2-ethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of 3-benzyl-2-ethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Property Insights of 3-benzyl-2-ethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
The XLogP value of 5.4385 indicates that 3-benzyl-2-ethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-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, 3-benzyl-2-ethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzyl-2-ethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-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 3-benzyl-2-ethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one?
The CAS number of 3-benzyl-2-ethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one is 313519-91-4.
What is the molecular formula of 3-benzyl-2-ethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one?
The molecular formula of 3-benzyl-2-ethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one is C25H26N2OS.
What is the molecular weight of 3-benzyl-2-ethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one?
The molecular weight of 3-benzyl-2-ethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one is 402.18 g/mol.
Where can I buy 3-benzyl-2-ethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one?
You can request a quote for 3-benzyl-2-ethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-2-ethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-2-ethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.