ChemDiv1_009055
TL;DR: ChemDiv1_009055 (CAS 354547-04-9) is a chemical compound with molecular formula C25H30N2O3S and molecular weight 438.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-(2-methylprop-2-enyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetate
Also Known As: ChemDiv1_009055, ethyl {[3-(2-methyl-2-propenyl)-4-oxo-3,4,5,6-tetrahydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-2-yl]sulfanyl}acetate, ethyl 2-[3-(2-methylprop-2-enyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetate, ethyl {[3-(2-methylprop-2-en-1-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetate, ethyl 2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetate
| Molecular Formula | C25H30N2O3S |
|---|---|
| Molecular Weight | 438.20 g/mol |
| LogP | 4.8996 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.19772 |
| Heavy Atoms | 31 |
| Complexity | 1066.9221 |
Chemical Identifiers
| CAS Number | 354547-04-9 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(C(=O)N1CC(=C)C)C3(CCCCC3)CC4=CC=CC=C42 |
Product Overview
ChemDiv1_009055 (CAS 354547-04-9), with molecular formula C25H30N2O3S and molecular weight 438.20 g/mol. IUPAC: ethyl 2-[3-(2-methylprop-2-enyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetate.
Chemical Property Profile of ChemDiv1_009055
Property Insights of ChemDiv1_009055
The XLogP value of 4.8996 indicates that ChemDiv1_009055 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009055. Following Lipinski's Rule of Five, ChemDiv1_009055 has 0 hydrogen bond donor(s) and 5 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 ChemDiv1_009055?
The CAS number of ChemDiv1_009055 is 354547-04-9.
What is the molecular formula of ChemDiv1_009055?
The molecular formula of ChemDiv1_009055 is C25H30N2O3S.
What is the molecular weight of ChemDiv1_009055?
The molecular weight of ChemDiv1_009055 is 438.20 g/mol.
Where can I buy ChemDiv1_009055?
You can request a quote for ChemDiv1_009055 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009055?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009055 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.