BAS 00818621
TL;DR: BAS 00818621 (CAS 332024-87-0) is a chemical compound with molecular formula C27H27N3OS and molecular weight 441.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-oxo-3-(2-phenylethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetonitrile
Also Known As: BAS 00818621, 2-[4-oxo-3-(2-phenylethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetonitrile, 2-[(cyanomethyl)sulfanyl]-3-(2-phenylethyl)-5,6-dihydro-4(3H)-oxospiro(benzo[h]quinazolin-5,1'-cyclohexane), {[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetonitrile, 2-((4-oxo-3-phenethyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetonitrile
| Molecular Formula | C27H27N3OS |
|---|---|
| Molecular Weight | 441.19 g/mol |
| LogP | 5.52668 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.18747 |
| Heavy Atoms | 32 |
| Complexity | 1219.8843 |
Chemical Identifiers
| CAS Number | 332024-87-0 |
|---|---|
| SMILES | C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC#N)CCC5=CC=CC=C5 |
Product Overview
BAS 00818621 (CAS 332024-87-0), with molecular formula C27H27N3OS and molecular weight 441.19 g/mol. IUPAC: 2-[4-oxo-3-(2-phenylethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetonitrile.
Chemical Property Profile of BAS 00818621
Property Insights of BAS 00818621
The XLogP value of 5.52668 indicates that BAS 00818621 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 00818621 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00818621 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 00818621?
The CAS number of BAS 00818621 is 332024-87-0.
What is the molecular formula of BAS 00818621?
The molecular formula of BAS 00818621 is C27H27N3OS.
What is the molecular weight of BAS 00818621?
The molecular weight of BAS 00818621 is 441.19 g/mol.
Where can I buy BAS 00818621?
You can request a quote for BAS 00818621 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00818621?
Yes, KEHONG BIO provides custom synthesis services for BAS 00818621 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.