BAS 00818559
TL;DR: BAS 00818559 (CAS 332024-63-2) is a chemical compound with molecular formula C31H33ClN2O2S and molecular weight 532.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-cyclohexylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: BAS 00818559, 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-cyclohexylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one, 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-cyclohexyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, 2-{[2-(4-chlorophenyl)-2-oxoethyl]thio}-3-cyclohexyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
| Molecular Formula | C31H33ClN2O2S |
|---|---|
| Molecular Weight | 532.20 g/mol |
| LogP | 7.8019 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 532.1951 |
| Heavy Atoms | 37 |
| Complexity | 1368.9457 |
Chemical Identifiers
| CAS Number | 332024-63-2 |
|---|---|
| SMILES | C1CCC(CC1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=O)C6=CC=C(C=C6)Cl |
Product Overview
BAS 00818559 (CAS 332024-63-2), with molecular formula C31H33ClN2O2S and molecular weight 532.20 g/mol. IUPAC: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-cyclohexylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of BAS 00818559
Property Insights of BAS 00818559
The XLogP value of 7.8019 indicates that BAS 00818559 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, BAS 00818559 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00818559 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 00818559?
The CAS number of BAS 00818559 is 332024-63-2.
What is the molecular formula of BAS 00818559?
The molecular formula of BAS 00818559 is C31H33ClN2O2S.
What is the molecular weight of BAS 00818559?
The molecular weight of BAS 00818559 is 532.20 g/mol.
Where can I buy BAS 00818559?
You can request a quote for BAS 00818559 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00818559?
Yes, KEHONG BIO provides custom synthesis services for BAS 00818559 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.