ChemDiv1_009099
TL;DR: ChemDiv1_009099 (CAS 330179-63-0) is a chemical compound with molecular formula C22H26N2O3S and molecular weight 398.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-ethyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetate
Also Known As: ChemDiv1_009099, BAS 01322120, ethyl 2-(3-ethyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetate, ethyl [(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetate, ethyl 2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetate
| Molecular Formula | C22H26N2O3S |
|---|---|
| Molecular Weight | 398.17 g/mol |
| LogP | 3.9533 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.1664 |
| Heavy Atoms | 28 |
| Complexity | 960.7396 |
Chemical Identifiers
| CAS Number | 330179-63-0 |
|---|---|
| SMILES | CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC(=O)OCC |
Product Overview
ChemDiv1_009099 (CAS 330179-63-0), with molecular formula C22H26N2O3S and molecular weight 398.17 g/mol. IUPAC: ethyl 2-(3-ethyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetate.
Chemical Property Profile of ChemDiv1_009099
Property Insights of ChemDiv1_009099
The XLogP value of 3.9533 indicates that ChemDiv1_009099 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 ChemDiv1_009099. Following Lipinski's Rule of Five, ChemDiv1_009099 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 ChemDiv1_009099?
The CAS number of ChemDiv1_009099 is 330179-63-0.
What is the molecular formula of ChemDiv1_009099?
The molecular formula of ChemDiv1_009099 is C22H26N2O3S.
What is the molecular weight of ChemDiv1_009099?
The molecular weight of ChemDiv1_009099 is 398.17 g/mol.
Where can I buy ChemDiv1_009099?
You can request a quote for ChemDiv1_009099 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009099?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009099 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.