BAS 00690692
TL;DR: BAS 00690692 (CAS 289711-65-5) is a chemical compound with molecular formula C30H28N2OS and molecular weight 464.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-3-(4-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: BAS 00690692, 2-benzylsulfanyl-3-(4-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one, AL-281/36997018, 2-(benzylsulfanyl)-3-(4-methylphenyl)-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclopentane)-4(3H)-one, 2-(benzylthio)-3-(p-tolyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
| Molecular Formula | C30H28N2OS |
|---|---|
| Molecular Weight | 464.19 g/mol |
| LogP | 6.86812 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 464.19223 |
| Heavy Atoms | 34 |
| Complexity | 1400.4218 |
Chemical Identifiers
| CAS Number | 289711-65-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC6=CC=CC=C6 |
Product Overview
BAS 00690692 (CAS 289711-65-5), with molecular formula C30H28N2OS and molecular weight 464.19 g/mol. IUPAC: 2-benzylsulfanyl-3-(4-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of BAS 00690692
Property Insights of BAS 00690692
The XLogP value of 6.86812 indicates that BAS 00690692 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, BAS 00690692 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00690692 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 BAS 00690692?
The CAS number of BAS 00690692 is 289711-65-5.
What is the molecular formula of BAS 00690692?
The molecular formula of BAS 00690692 is C30H28N2OS.
What is the molecular weight of BAS 00690692?
The molecular weight of BAS 00690692 is 464.19 g/mol.
Where can I buy BAS 00690692?
You can request a quote for BAS 00690692 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00690692?
Yes, KEHONG BIO provides custom synthesis services for BAS 00690692 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.