BAS 00690717
TL;DR: BAS 00690717 (CAS 328068-74-2) is a chemical compound with molecular formula C32H32N2OS and molecular weight 492.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-(2-phenylethylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: BAS 00690717, AL-281/11337023, 3-benzyl-2-(2-phenylethylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one, 3-benzyl-2-[(2-phenylethyl)sulfanyl]-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-4(3H)-one, 3-benzyl-2-(phenethylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
| Molecular Formula | C32H32N2OS |
|---|---|
| Molecular Weight | 492.22 g/mol |
| LogP | 7.0514 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 492.22354 |
| Heavy Atoms | 36 |
| Complexity | 1405.527 |
Chemical Identifiers
| CAS Number | 328068-74-2 |
|---|---|
| SMILES | C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCCC5=CC=CC=C5)CC6=CC=CC=C6 |
Product Overview
BAS 00690717 (CAS 328068-74-2), with molecular formula C32H32N2OS and molecular weight 492.22 g/mol. IUPAC: 3-benzyl-2-(2-phenylethylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of BAS 00690717
Property Insights of BAS 00690717
The XLogP value of 7.0514 indicates that BAS 00690717 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 00690717 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00690717 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 00690717?
The CAS number of BAS 00690717 is 328068-74-2.
What is the molecular formula of BAS 00690717?
The molecular formula of BAS 00690717 is C32H32N2OS.
What is the molecular weight of BAS 00690717?
The molecular weight of BAS 00690717 is 492.22 g/mol.
Where can I buy BAS 00690717?
You can request a quote for BAS 00690717 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00690717?
Yes, KEHONG BIO provides custom synthesis services for BAS 00690717 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.