BAS 00818532
TL;DR: BAS 00818532 (CAS 332024-49-4) is a chemical compound with molecular formula C22H23N3OS and molecular weight 377.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-oxo-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetonitrile
Also Known As: BAS 00818532, AB00094060-01, 2-(4-oxo-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetonitrile, 2-[(3-allyl-4-oxo-3,4,5,6-tetrahydrospiro[benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl]acetonitrile, {[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetonitrile
| Molecular Formula | C22H23N3OS |
|---|---|
| Molecular Weight | 377.16 g/mol |
| LogP | 4.46998 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.1562 |
| Heavy Atoms | 27 |
| Complexity | 980.028 |
Chemical Identifiers
| CAS Number | 332024-49-4 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC#N |
Product Overview
BAS 00818532 (CAS 332024-49-4), with molecular formula C22H23N3OS and molecular weight 377.16 g/mol. IUPAC: 2-(4-oxo-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetonitrile.
Chemical Property Profile of BAS 00818532
Property Insights of BAS 00818532
The XLogP value of 4.46998 indicates that BAS 00818532 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.68 Ų, BAS 00818532 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00818532 has 0 hydrogen bond donor(s) and 4 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 00818532?
The CAS number of BAS 00818532 is 332024-49-4.
What is the molecular formula of BAS 00818532?
The molecular formula of BAS 00818532 is C22H23N3OS.
What is the molecular weight of BAS 00818532?
The molecular weight of BAS 00818532 is 377.16 g/mol.
Where can I buy BAS 00818532?
You can request a quote for BAS 00818532 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00818532?
Yes, KEHONG BIO provides custom synthesis services for BAS 00818532 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.