BAS 00818547
TL;DR: BAS 00818547 (CAS 328070-06-0) is a chemical compound with molecular formula C22H22N2OS and molecular weight 362.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-prop-2-enyl-2-prop-2-ynylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: BAS 00818547, 3-prop-2-enyl-2-prop-2-ynylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one, 3-allyl-2-(2-propynylsulfanyl)-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclopentane)-4(3H)-one, 3-allyl-2-(prop-2-yn-1-ylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 3-(prop-2-en-1-yl)-2-(prop-2-yn-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
| Molecular Formula | C22H22N2OS |
|---|---|
| Molecular Weight | 362.15 g/mol |
| LogP | 4.1895 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.1453 |
| Heavy Atoms | 26 |
| Complexity | 961.0831 |
Chemical Identifiers
| CAS Number | 328070-06-0 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC#C |
Product Overview
BAS 00818547 (CAS 328070-06-0), with molecular formula C22H22N2OS and molecular weight 362.15 g/mol. IUPAC: 3-prop-2-enyl-2-prop-2-ynylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of BAS 00818547
Property Insights of BAS 00818547
The XLogP value of 4.1895 indicates that BAS 00818547 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 00818547 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00818547 has 0 hydrogen bond donor(s) and 3 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 00818547?
The CAS number of BAS 00818547 is 328070-06-0.
What is the molecular formula of BAS 00818547?
The molecular formula of BAS 00818547 is C22H22N2OS.
What is the molecular weight of BAS 00818547?
The molecular weight of BAS 00818547 is 362.15 g/mol.
Where can I buy BAS 00818547?
You can request a quote for BAS 00818547 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00818547?
Yes, KEHONG BIO provides custom synthesis services for BAS 00818547 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.