BAS 00690687
TL;DR: BAS 00690687 (CAS 312585-38-9) is a chemical compound with molecular formula C24H24N2O2S and molecular weight 404.15585 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-methoxyphenyl)-2-methylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: BAS 00690687, 3-(4-methoxyphenyl)-2-methylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one, AL-281/11337034, 3-(4-methoxyphenyl)-2-(methylsulfanyl)-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclopentane)-4(3H)-one, 3-(4-methoxyphenyl)-2-(methylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Technical Specifications
| Molecular Formula | C24H24N2O2S |
| Molecular Weight | 404.15585 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 67.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.15585 Da |
| Heavy Atoms | 29 |
| Complexity | 716.0 |
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SC |
| InChIKey | IVJIIUXQSADZOI-UHFFFAOYSA-N |
Chemical Property Profile of BAS 00690687
Property Insights of BAS 00690687
The XLogP value of 5.6 indicates that BAS 00690687 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00690687. Following Lipinski's Rule of Five, BAS 00690687 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of BAS 00690687?
The CAS number of BAS 00690687 is 312585-38-9.
What is the molecular formula of BAS 00690687?
The molecular formula of BAS 00690687 is C24H24N2O2S.
What is the molecular weight of BAS 00690687?
The molecular weight of BAS 00690687 is 404.15585 g/mol.
Where can I buy BAS 00690687?
You can request a quote for BAS 00690687 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 00690687?
Yes, CoreyChem provides custom synthesis services for BAS 00690687 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.