BAS 00818562
TL;DR: BAS 00818562 (CAS 332024-64-3) is a chemical compound with molecular formula C26H31N3OS and molecular weight 433.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(cyclohexylmethyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetonitrile
Also Known As: BAS 00818562, 2-[3-(cyclohexylmethyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetonitrile, {[3-(cyclohexylmethyl)-4-oxo-3,4,5,6-tetrahydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-2-yl]sulfanyl}acetonitrile, {[3-(cyclohexylmethyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetonitrile, 2-((3-(cyclohexylmethyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetonitrile
| Molecular Formula | C26H31N3OS |
|---|---|
| Molecular Weight | 433.22 g/mol |
| LogP | 5.86428 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.21878 |
| Heavy Atoms | 31 |
| Complexity | 1055.2974 |
Chemical Identifiers
| CAS Number | 332024-64-3 |
|---|---|
| SMILES | C1CCC(CC1)CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC#N |
Product Overview
BAS 00818562 (CAS 332024-64-3), with molecular formula C26H31N3OS and molecular weight 433.22 g/mol. IUPAC: 2-[3-(cyclohexylmethyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetonitrile.
Chemical Property Profile of BAS 00818562
Property Insights of BAS 00818562
The XLogP value of 5.86428 indicates that BAS 00818562 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 00818562 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00818562 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00818562?
The CAS number of BAS 00818562 is 332024-64-3.
What is the molecular formula of BAS 00818562?
The molecular formula of BAS 00818562 is C26H31N3OS.
What is the molecular weight of BAS 00818562?
The molecular weight of BAS 00818562 is 433.22 g/mol.
Where can I buy BAS 00818562?
You can request a quote for BAS 00818562 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00818562?
Yes, KEHONG BIO provides custom synthesis services for BAS 00818562 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.