ChemDiv1_009087
TL;DR: ChemDiv1_009087 (CAS 332024-55-2) is a chemical compound with molecular formula C23H26N2O3S and molecular weight 410.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-oxo-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetate
Also Known As: ChemDiv1_009087, BAS 00818544, AB00094061-01, ethyl {[3-allyl-4-oxo-3,4,5,6-tetrahydrospiro(benzo[h]quinazoline-5,1'-cyclopentane)-2-yl]sulfanyl}acetate, ethyl 2-(4-oxo-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetate
| Molecular Formula | C23H26N2O3S |
|---|---|
| Molecular Weight | 410.17 g/mol |
| LogP | 4.1194 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.1664 |
| Heavy Atoms | 29 |
| Complexity | 1005.6679 |
Chemical Identifiers
| CAS Number | 332024-55-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(C(=O)N1CC=C)C3(CCCC3)CC4=CC=CC=C42 |
Product Overview
ChemDiv1_009087 (CAS 332024-55-2), with molecular formula C23H26N2O3S and molecular weight 410.17 g/mol. IUPAC: ethyl 2-(4-oxo-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetate.
Chemical Property Profile of ChemDiv1_009087
Property Insights of ChemDiv1_009087
The XLogP value of 4.1194 indicates that ChemDiv1_009087 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_009087. Following Lipinski's Rule of Five, ChemDiv1_009087 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_009087?
The CAS number of ChemDiv1_009087 is 332024-55-2.
What is the molecular formula of ChemDiv1_009087?
The molecular formula of ChemDiv1_009087 is C23H26N2O3S.
What is the molecular weight of ChemDiv1_009087?
The molecular weight of ChemDiv1_009087 is 410.17 g/mol.
Where can I buy ChemDiv1_009087?
You can request a quote for ChemDiv1_009087 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009087?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009087 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.