BAS 00690696
TL;DR: BAS 00690696 (CAS 289711-67-7) is a chemical compound with molecular formula C26H26N2OS and molecular weight 414.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: BAS 00690696, 3-(4-methylphenyl)-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one, AL-281/36997022, 2-(allylsulfanyl)-3-(4-methylphenyl)-5,6-dihydrospiro[benzo[h]quinazoline-5,1'-cyclopentane]-4(3H)-one, 3-(4-methylphenyl)-2-(prop-2-en-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
| Molecular Formula | C26H26N2OS |
|---|---|
| Molecular Weight | 414.18 g/mol |
| LogP | 5.85392 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.17657 |
| Heavy Atoms | 30 |
| Complexity | 1170.6283 |
Chemical Identifiers
| CAS Number | 289711-67-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC=C |
Product Overview
BAS 00690696 (CAS 289711-67-7), with molecular formula C26H26N2OS and molecular weight 414.18 g/mol. IUPAC: 3-(4-methylphenyl)-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of BAS 00690696
Property Insights of BAS 00690696
The XLogP value of 5.85392 indicates that BAS 00690696 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 00690696 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00690696 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 00690696?
The CAS number of BAS 00690696 is 289711-67-7.
What is the molecular formula of BAS 00690696?
The molecular formula of BAS 00690696 is C26H26N2OS.
What is the molecular weight of BAS 00690696?
The molecular weight of BAS 00690696 is 414.18 g/mol.
Where can I buy BAS 00690696?
You can request a quote for BAS 00690696 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00690696?
Yes, KEHONG BIO provides custom synthesis services for BAS 00690696 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.