BAS 00690895
TL;DR: BAS 00690895 (CAS 286000-40-6) is a chemical compound with molecular formula C22H20N2OS and molecular weight 360.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: BAS 00690895, 3-phenyl-2-thioxo-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 2-mercapto-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 3-phenyl-2-sulfanyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 3-phenyl-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one
| Molecular Formula | C22H20N2OS |
|---|---|
| Molecular Weight | 360.13 g/mol |
| LogP | 4.92999 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 360.12964 |
| Heavy Atoms | 26 |
| Complexity | 1104.9764 |
Chemical Identifiers
| CAS Number | 286000-40-6 |
|---|---|
| SMILES | C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N(C(=S)N4)C5=CC=CC=C5 |
Product Overview
BAS 00690895 (CAS 286000-40-6), with molecular formula C22H20N2OS and molecular weight 360.13 g/mol. IUPAC: 3-phenyl-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of BAS 00690895
Property Insights of BAS 00690895
The XLogP value of 4.92999 indicates that BAS 00690895 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 00690895 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00690895 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00690895?
The CAS number of BAS 00690895 is 286000-40-6.
What is the molecular formula of BAS 00690895?
The molecular formula of BAS 00690895 is C22H20N2OS.
What is the molecular weight of BAS 00690895?
The molecular weight of BAS 00690895 is 360.13 g/mol.
Where can I buy BAS 00690895?
You can request a quote for BAS 00690895 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00690895?
Yes, KEHONG BIO provides custom synthesis services for BAS 00690895 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.