BAS 00690713
TL;DR: BAS 00690713 (CAS 289711-70-2) is a chemical compound with molecular formula C31H30N2OS and molecular weight 478.21 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'-cyclopentane]-4-one
Also Known As: BAS 00690713, AL-281/11337019, 3-(4-methylphenyl)-2-(2-phenylethylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one, 3-(4-methylphenyl)-2-[(2-phenylethyl)sulfanyl]-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclopentane)-4(3H)-one, 2-(phenethylthio)-3-(p-tolyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
| Molecular Formula | C31H30N2OS |
|---|---|
| Molecular Weight | 478.21 g/mol |
| LogP | 6.91062 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 478.2079 |
| Heavy Atoms | 35 |
| Complexity | 1417.0608 |
Chemical Identifiers
| CAS Number | 289711-70-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCCC6=CC=CC=C6 |
Product Overview
BAS 00690713 (CAS 289711-70-2), with molecular formula C31H30N2OS and molecular weight 478.21 g/mol. IUPAC: 3-(4-methylphenyl)-2-(2-phenylethylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of BAS 00690713
Property Insights of BAS 00690713
The XLogP value of 6.91062 indicates that BAS 00690713 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 00690713 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00690713 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 00690713?
The CAS number of BAS 00690713 is 289711-70-2.
What is the molecular formula of BAS 00690713?
The molecular formula of BAS 00690713 is C31H30N2OS.
What is the molecular weight of BAS 00690713?
The molecular weight of BAS 00690713 is 478.21 g/mol.
Where can I buy BAS 00690713?
You can request a quote for BAS 00690713 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00690713?
Yes, KEHONG BIO provides custom synthesis services for BAS 00690713 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.