BAS 00386217
TL;DR: BAS 00386217 (CAS 289711-76-8) is a chemical compound with molecular formula C28H30N2O3S and molecular weight 474.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-(4-methylphenyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetate
Also Known As: BAS 00386217, ethyl {[3-(4-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetate, ethyl 2-((4-oxo-3-(p-tolyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetate, ETHYL 2-[3-(4-METHYLPHENYL)-4-OXO-4,6-DIHYDRO-3H-SPIRO[BENZO[H]QUINAZOLINE-5,1'-CYCLOHEXAN]-2-YLSULFANYL]ACETATE, ethyl 2-[3-(4-methylphenyl)-4-oxospiro[3,5,6-trihydrobenzo[h]quinazoline-5,1'- cyclohexane]-2-ylthio]acetate
| Molecular Formula | C28H30N2O3S |
|---|---|
| Molecular Weight | 474.20 g/mol |
| LogP | 5.62112 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.19772 |
| Heavy Atoms | 34 |
| Complexity | 1273.799 |
Chemical Identifiers
| CAS Number | 289711-76-8 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)C)C4(CCCCC4)CC5=CC=CC=C52 |
Product Overview
BAS 00386217 (CAS 289711-76-8), with molecular formula C28H30N2O3S and molecular weight 474.20 g/mol. IUPAC: ethyl 2-[3-(4-methylphenyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetate.
Chemical Property Profile of BAS 00386217
Property Insights of BAS 00386217
The XLogP value of 5.62112 indicates that BAS 00386217 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 BAS 00386217. Following Lipinski's Rule of Five, BAS 00386217 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00386217?
The CAS number of BAS 00386217 is 289711-76-8.
What is the molecular formula of BAS 00386217?
The molecular formula of BAS 00386217 is C28H30N2O3S.
What is the molecular weight of BAS 00386217?
The molecular weight of BAS 00386217 is 474.20 g/mol.
Where can I buy BAS 00386217?
You can request a quote for BAS 00386217 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00386217?
Yes, KEHONG BIO provides custom synthesis services for BAS 00386217 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.