BAS 00818540
TL;DR: BAS 00818540 (CAS 332024-52-9) is a chemical compound with molecular formula C19H20N2OS and molecular weight 324.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-prop-2-enyl-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: BAS 00818540, 3-allyl-2-thioxo-2,3,5,6-tetrahydrospiro(benzo[h]quinazoline-5,1'-cyclopentane)-4(1H)-one, 3-prop-2-enyl-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one, 3-(prop-2-en-1-yl)-2-sulfanyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 3-allyl-2-thioxo-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
| Molecular Formula | C19H20N2OS |
|---|---|
| Molecular Weight | 324.13 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.12964 |
| Heavy Atoms | 23 |
| Complexity | 588.0 |
Chemical Identifiers
| CAS Number | 332024-52-9 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)NC1=S |
| InChIKey | FXPYPGVDNFHWBK-UHFFFAOYSA-N |
Product Overview
BAS 00818540 (CAS 332024-52-9), with molecular formula C19H20N2OS and molecular weight 324.13 g/mol. IUPAC: 3-prop-2-enyl-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of BAS 00818540
Property Insights of BAS 00818540
The XLogP value of 4.1 indicates that BAS 00818540 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00818540. Following Lipinski's Rule of Five, BAS 00818540 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 00818540?
The CAS number of BAS 00818540 is 332024-52-9.
What is the molecular formula of BAS 00818540?
The molecular formula of BAS 00818540 is C19H20N2OS.
What is the molecular weight of BAS 00818540?
The molecular weight of BAS 00818540 is 324.13 g/mol.
Where can I buy BAS 00818540?
You can request a quote for BAS 00818540 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00818540?
Yes, KEHONG BIO provides custom synthesis services for BAS 00818540 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.