![3-methyl-2-methylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one structure](/static/products/3135/313519-87-8.webp)
3-methyl-2-methylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
TL;DR: 3-methyl-2-methylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one (CAS 313519-87-8) is a chemical compound with molecular formula C18H20N2OS and molecular weight 312.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-methylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: ChemDiv1_005340, 3-methyl-2-methylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one, 3-methyl-2-(methylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 3-methyl-2-(methylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 3-METHYL-2-(METHYLSULFANYL)-4,6-DIHYDRO-3H-SPIRO[BENZO[H]QUINAZOLINE-5,1'-CYCLOPENTAN]-4-ONE
| Molecular Formula | C18H20N2OS |
|---|---|
| Molecular Weight | 312.13 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 312.12964 |
| Heavy Atoms | 22 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 313519-87-8 |
|---|---|
| SMILES | CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SC |
| InChIKey | ATECVHBYXYZOQQ-UHFFFAOYSA-N |
Product Overview
3-methyl-2-methylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one (CAS 313519-87-8), with molecular formula C18H20N2OS and molecular weight 312.13 g/mol. IUPAC: 3-methyl-2-methylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of 3-methyl-2-methylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Property Insights of 3-methyl-2-methylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
The XLogP value of 4.1 indicates that 3-methyl-2-methylsulfanylspiro[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 58.0 Ų, 3-methyl-2-methylsulfanylspiro[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-methyl-2-methylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one has 0 hydrogen bond donor(s) and 3 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 3-methyl-2-methylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one?
The CAS number of 3-methyl-2-methylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one is 313519-87-8.
What is the molecular formula of 3-methyl-2-methylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one?
The molecular formula of 3-methyl-2-methylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one is C18H20N2OS.
What is the molecular weight of 3-methyl-2-methylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one?
The molecular weight of 3-methyl-2-methylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one is 312.13 g/mol.
Where can I buy 3-methyl-2-methylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one?
You can request a quote for 3-methyl-2-methylsulfanylspiro[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-methyl-2-methylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-2-methylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.