BAS 00690704
TL;DR: BAS 00690704 (CAS 287491-49-0) is a chemical compound with molecular formula C23H22N2OS and molecular weight 374.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: BAS 00690704, 2-thioxo-3-(p-tolyl)-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 3-(4-methylphenyl)-2-sulfanyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 3-(4-methylphenyl)-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one, 3-(4-methylphenyl)-2-thioxospiro[1,3,5,6-tetrahydrobenzo[h]quinazoline-5,1'-cy clopentane]-4-one
| Molecular Formula | C23H22N2OS |
|---|---|
| Molecular Weight | 374.15 g/mol |
| LogP | 5.23841 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 374.1453 |
| Heavy Atoms | 27 |
| Complexity | 1148.2312 |
Chemical Identifiers
| CAS Number | 287491-49-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)NC2=S |
Product Overview
BAS 00690704 (CAS 287491-49-0), with molecular formula C23H22N2OS and molecular weight 374.15 g/mol. IUPAC: 3-(4-methylphenyl)-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of BAS 00690704
Property Insights of BAS 00690704
The XLogP value of 5.23841 indicates that BAS 00690704 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.79 Ų, BAS 00690704 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00690704 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00690704?
The CAS number of BAS 00690704 is 287491-49-0.
What is the molecular formula of BAS 00690704?
The molecular formula of BAS 00690704 is C23H22N2OS.
What is the molecular weight of BAS 00690704?
The molecular weight of BAS 00690704 is 374.15 g/mol.
Where can I buy BAS 00690704?
You can request a quote for BAS 00690704 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00690704?
Yes, KEHONG BIO provides custom synthesis services for BAS 00690704 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.