![ethyl 2-[(3-benzyl-5,5-diethyl-4-oxo-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetate structure](/static/products/3125/312596-24-0.webp)
ethyl 2-[(3-benzyl-5,5-diethyl-4-oxo-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetate
TL;DR: ethyl 2-[(3-benzyl-5,5-diethyl-4-oxo-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetate (CAS 312596-24-0) is a chemical compound with molecular formula C27H30N2O3S and molecular weight 462.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-benzyl-5,5-diethyl-4-oxo-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetate
Also Known As: BAS 01579433, ethyl 2-[(3-benzyl-5,5-diethyl-4-oxo-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetate, AJ-292/13328080, ethyl [(3-benzyl-5,5-diethyl-4-oxo-3,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl)sulfanyl]acetate, ethyl 2-((3-benzyl-5,5-diethyl-4-oxo-3,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl)thio)acetate
| Molecular Formula | C27H30N2O3S |
|---|---|
| Molecular Weight | 462.20 g/mol |
| LogP | 5.2277 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 462.19772 |
| Heavy Atoms | 33 |
| Complexity | 1199.7335 |
Chemical Identifiers
| CAS Number | 312596-24-0 |
|---|---|
| SMILES | CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCC(=O)OCC)CC4=CC=CC=C4)CC |
Product Overview
ethyl 2-[(3-benzyl-5,5-diethyl-4-oxo-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetate (CAS 312596-24-0), with molecular formula C27H30N2O3S and molecular weight 462.20 g/mol. IUPAC: ethyl 2-[(3-benzyl-5,5-diethyl-4-oxo-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetate.
Chemical Property Profile of ethyl 2-[(3-benzyl-5,5-diethyl-4-oxo-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetate
Property Insights of ethyl 2-[(3-benzyl-5,5-diethyl-4-oxo-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetate
The XLogP value of 5.2277 indicates that ethyl 2-[(3-benzyl-5,5-diethyl-4-oxo-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetate 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 ethyl 2-[(3-benzyl-5,5-diethyl-4-oxo-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, ethyl 2-[(3-benzyl-5,5-diethyl-4-oxo-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetate 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 ethyl 2-[(3-benzyl-5,5-diethyl-4-oxo-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetate?
The CAS number of ethyl 2-[(3-benzyl-5,5-diethyl-4-oxo-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetate is 312596-24-0.
What is the molecular formula of ethyl 2-[(3-benzyl-5,5-diethyl-4-oxo-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetate?
The molecular formula of ethyl 2-[(3-benzyl-5,5-diethyl-4-oxo-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetate is C27H30N2O3S.
What is the molecular weight of ethyl 2-[(3-benzyl-5,5-diethyl-4-oxo-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetate?
The molecular weight of ethyl 2-[(3-benzyl-5,5-diethyl-4-oxo-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetate is 462.20 g/mol.
Where can I buy ethyl 2-[(3-benzyl-5,5-diethyl-4-oxo-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetate?
You can request a quote for ethyl 2-[(3-benzyl-5,5-diethyl-4-oxo-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[(3-benzyl-5,5-diethyl-4-oxo-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(3-benzyl-5,5-diethyl-4-oxo-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.