A3552/0150586
TL;DR: A3552/0150586 (CAS 488708-67-4) is a chemical compound with molecular formula C24H30N2O3S and molecular weight 426.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-oxo-3-propylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetate
Also Known As: A3552/0150586, ethyl 2-(4-oxo-3-propylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetate, ethyl [(4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetate, ethyl 2-((4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetate, ETHYL 2-{4-OXO-3-PROPYL-4,6-DIHYDRO-3H-SPIRO[BENZO[H]QUINAZOLINE-5,1'-CYCLOHEXAN]-2-YLSULFANYL}ACETATE
| Molecular Formula | C24H30N2O3S |
|---|---|
| Molecular Weight | 426.20 g/mol |
| LogP | 4.7335 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.19772 |
| Heavy Atoms | 30 |
| Complexity | 992.43097 |
Chemical Identifiers
| CAS Number | 488708-67-4 |
|---|---|
| SMILES | CCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC(=O)OCC |
Product Overview
A3552/0150586 (CAS 488708-67-4), with molecular formula C24H30N2O3S and molecular weight 426.20 g/mol. IUPAC: ethyl 2-(4-oxo-3-propylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetate.
Chemical Property Profile of A3552/0150586
Property Insights of A3552/0150586
The XLogP value of 4.7335 indicates that A3552/0150586 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 A3552/0150586. Following Lipinski's Rule of Five, A3552/0150586 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 A3552/0150586?
The CAS number of A3552/0150586 is 488708-67-4.
What is the molecular formula of A3552/0150586?
The molecular formula of A3552/0150586 is C24H30N2O3S.
What is the molecular weight of A3552/0150586?
The molecular weight of A3552/0150586 is 426.20 g/mol.
Where can I buy A3552/0150586?
You can request a quote for A3552/0150586 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3552/0150586?
Yes, KEHONG BIO provides custom synthesis services for A3552/0150586 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.