BAS 00690718
TL;DR: BAS 00690718 (CAS 289711-80-4) is a chemical compound with molecular formula C32H32N2OS and molecular weight 492.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-2-(2-phenylethylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: BAS 00690718, AL-281/36997027, 3-(4-methylphenyl)-2-[(2-phenylethyl)sulfanyl]-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-4(3H)-one, 3-(4-methylphenyl)-2-(2-phenylethylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one, 3-(4-methylphenyl)-2-[(2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
| Molecular Formula | C32H32N2OS |
|---|---|
| Molecular Weight | 492.22 g/mol |
| LogP | 7.30072 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 492.22354 |
| Heavy Atoms | 36 |
| Complexity | 1433.7205 |
Chemical Identifiers
| CAS Number | 289711-80-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCCC6=CC=CC=C6 |
Product Overview
BAS 00690718 (CAS 289711-80-4), with molecular formula C32H32N2OS and molecular weight 492.22 g/mol. IUPAC: 3-(4-methylphenyl)-2-(2-phenylethylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of BAS 00690718
Property Insights of BAS 00690718
The XLogP value of 7.30072 indicates that BAS 00690718 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 00690718 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00690718 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 00690718?
The CAS number of BAS 00690718 is 289711-80-4.
What is the molecular formula of BAS 00690718?
The molecular formula of BAS 00690718 is C32H32N2OS.
What is the molecular weight of BAS 00690718?
The molecular weight of BAS 00690718 is 492.22 g/mol.
Where can I buy BAS 00690718?
You can request a quote for BAS 00690718 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00690718?
Yes, KEHONG BIO provides custom synthesis services for BAS 00690718 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.