BAS 00690942
TL;DR: BAS 00690942 (CAS 312596-38-6) is a chemical compound with molecular formula C21H24N2O3S and molecular weight 384.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-methyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetate
Also Known As: BAS 00690942, AE-848/36913068, ethyl 2-(3-methyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetate, ethyl 2-((3-methyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetate, ethyl [(3-methyl-4-oxo-3,4,5,6-tetrahydrospiro{benzo[h]quinazoline-5,1'-cyclopentane}-2-yl)sulfanyl]acetate
| Molecular Formula | C21H24N2O3S |
|---|---|
| Molecular Weight | 384.15 g/mol |
| LogP | 3.4704 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.15076 |
| Heavy Atoms | 27 |
| Complexity | 944.9283 |
Chemical Identifiers
| CAS Number | 312596-38-6 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(C(=O)N1C)C3(CCCC3)CC4=CC=CC=C42 |
Product Overview
BAS 00690942 (CAS 312596-38-6), with molecular formula C21H24N2O3S and molecular weight 384.15 g/mol. IUPAC: ethyl 2-(3-methyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetate.
Chemical Property Profile of BAS 00690942
Property Insights of BAS 00690942
The XLogP value of 3.4704 indicates that BAS 00690942 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 00690942. Following Lipinski's Rule of Five, BAS 00690942 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 BAS 00690942?
The CAS number of BAS 00690942 is 312596-38-6.
What is the molecular formula of BAS 00690942?
The molecular formula of BAS 00690942 is C21H24N2O3S.
What is the molecular weight of BAS 00690942?
The molecular weight of BAS 00690942 is 384.15 g/mol.
Where can I buy BAS 00690942?
You can request a quote for BAS 00690942 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00690942?
Yes, KEHONG BIO provides custom synthesis services for BAS 00690942 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.