BAS 00818619
TL;DR: BAS 00818619 (CAS 327170-18-3) is a chemical compound with molecular formula C29H32N2O3S and molecular weight 488.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-oxo-3-(2-phenylethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetate
Also Known As: BAS 00818619, ethyl 2-[4-oxo-3-(2-phenylethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetate, ethyl {[4-oxo-3-(2-phenylethyl)-3,4,5,6-tetrahydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-2-yl]sulfanyl}acetate, ethyl {[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetate, ethyl 2-((4-oxo-3-phenethyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetate
| Molecular Formula | C29H32N2O3S |
|---|---|
| Molecular Weight | 488.21 g/mol |
| LogP | 5.5662 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 488.21338 |
| Heavy Atoms | 35 |
| Complexity | 1262.6637 |
Chemical Identifiers
| CAS Number | 327170-18-3 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52 |
Product Overview
BAS 00818619 (CAS 327170-18-3), with molecular formula C29H32N2O3S and molecular weight 488.21 g/mol. IUPAC: ethyl 2-[4-oxo-3-(2-phenylethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetate.
Chemical Property Profile of BAS 00818619
Property Insights of BAS 00818619
The XLogP value of 5.5662 indicates that BAS 00818619 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 00818619. Following Lipinski's Rule of Five, BAS 00818619 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 00818619?
The CAS number of BAS 00818619 is 327170-18-3.
What is the molecular formula of BAS 00818619?
The molecular formula of BAS 00818619 is C29H32N2O3S.
What is the molecular weight of BAS 00818619?
The molecular weight of BAS 00818619 is 488.21 g/mol.
Where can I buy BAS 00818619?
You can request a quote for BAS 00818619 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00818619?
Yes, KEHONG BIO provides custom synthesis services for BAS 00818619 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.