BAS 00690663
TL;DR: BAS 00690663 (CAS 328069-52-9) is a chemical compound with molecular formula C28H30N2O4S and molecular weight 490.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-(4-methoxyphenyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetate
Also Known As: BAS 00690663, BIM-0028144.P001, ethyl 2-[3-(4-methoxyphenyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetate, ethyl {[3-(4-methoxyphenyl)-4-oxo-3,4,5,6-tetrahydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-2-yl]sulfanyl}acetate, ethyl {[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetate
| Molecular Formula | C28H30N2O4S |
|---|---|
| Molecular Weight | 490.19 g/mol |
| LogP | 5.3213 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 490.19263 |
| Heavy Atoms | 35 |
| Complexity | 1293.2997 |
Chemical Identifiers
| CAS Number | 328069-52-9 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)OC)C4(CCCCC4)CC5=CC=CC=C52 |
Product Overview
BAS 00690663 (CAS 328069-52-9), with molecular formula C28H30N2O4S and molecular weight 490.19 g/mol. IUPAC: ethyl 2-[3-(4-methoxyphenyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetate.
Chemical Property Profile of BAS 00690663
Property Insights of BAS 00690663
The XLogP value of 5.3213 indicates that BAS 00690663 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00690663. Following Lipinski's Rule of Five, BAS 00690663 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00690663?
The CAS number of BAS 00690663 is 328069-52-9.
What is the molecular formula of BAS 00690663?
The molecular formula of BAS 00690663 is C28H30N2O4S.
What is the molecular weight of BAS 00690663?
The molecular weight of BAS 00690663 is 490.19 g/mol.
Where can I buy BAS 00690663?
You can request a quote for BAS 00690663 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00690663?
Yes, KEHONG BIO provides custom synthesis services for BAS 00690663 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.