BAS 00690733
TL;DR: BAS 00690733 (CAS 289711-69-9) is a chemical compound with molecular formula C26H24N2OS and molecular weight 412.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-2-prop-2-ynylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: BAS 00690733, 3-(4-methylphenyl)-2-prop-2-ynylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one, AL-281/11337031, 3-(4-methylphenyl)-2-(2-propynylsulfanyl)-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclopentane)-4(3H)-one, 2-(prop-2-yn-1-ylthio)-3-(p-tolyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
| Molecular Formula | C26H24N2OS |
|---|---|
| Molecular Weight | 412.16 g/mol |
| LogP | 5.30112 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.16095 |
| Heavy Atoms | 30 |
| Complexity | 1211.2615 |
Chemical Identifiers
| CAS Number | 289711-69-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC#C |
Product Overview
BAS 00690733 (CAS 289711-69-9), with molecular formula C26H24N2OS and molecular weight 412.16 g/mol. IUPAC: 3-(4-methylphenyl)-2-prop-2-ynylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of BAS 00690733
Property Insights of BAS 00690733
The XLogP value of 5.30112 indicates that BAS 00690733 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 00690733 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00690733 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 00690733?
The CAS number of BAS 00690733 is 289711-69-9.
What is the molecular formula of BAS 00690733?
The molecular formula of BAS 00690733 is C26H24N2OS.
What is the molecular weight of BAS 00690733?
The molecular weight of BAS 00690733 is 412.16 g/mol.
Where can I buy BAS 00690733?
You can request a quote for BAS 00690733 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00690733?
Yes, KEHONG BIO provides custom synthesis services for BAS 00690733 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.