BAS 00818591
TL;DR: BAS 00818591 (CAS 316358-79-9) is a chemical compound with molecular formula C25H26N2OS and molecular weight 402.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-3-(2-phenylethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: BAS 00818591, 2-(methylsulfanyl)-3-(2-phenylethyl)-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclopentane)-4(3H)-one, 2-methylsulfanyl-3-(2-phenylethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one, 2-(methylthio)-3-phenethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 2-methylsulfanyl-3-phenethylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
| Molecular Formula | C25H26N2OS |
|---|---|
| Molecular Weight | 402.18 g/mol |
| LogP | 5.2428 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.17657 |
| Heavy Atoms | 29 |
| Complexity | 1097.5514 |
Chemical Identifiers
| CAS Number | 316358-79-9 |
|---|---|
| SMILES | CSC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)C4(CCCC4)CC5=CC=CC=C52 |
Product Overview
BAS 00818591 (CAS 316358-79-9), with molecular formula C25H26N2OS and molecular weight 402.18 g/mol. IUPAC: 2-methylsulfanyl-3-(2-phenylethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of BAS 00818591
Property Insights of BAS 00818591
The XLogP value of 5.2428 indicates that BAS 00818591 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 00818591 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00818591 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 00818591?
The CAS number of BAS 00818591 is 316358-79-9.
What is the molecular formula of BAS 00818591?
The molecular formula of BAS 00818591 is C25H26N2OS.
What is the molecular weight of BAS 00818591?
The molecular weight of BAS 00818591 is 402.18 g/mol.
Where can I buy BAS 00818591?
You can request a quote for BAS 00818591 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00818591?
Yes, KEHONG BIO provides custom synthesis services for BAS 00818591 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.