RefChem:315939
TL;DR: RefChem:315939 (CAS 172984-47-3) is a chemical compound with molecular formula C28H30N2O3S and molecular weight 474.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-benzyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetate
Also Known As: BAS 00332407, Acetic acid, ((4,6-dihydro-4-oxo-3-(phenylmethyl)spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-2-yl)thio)-, ethyl ester, AJ-292/34008032, ethyl 2-(3-benzyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetate, ethyl 2-(3-benzyl-4-oxospiro[6H-benzo[h]quinazoline-5,1//'-cyclohexane]-2-yl)sulfanylacetate
| Molecular Formula | C28H30N2O3S |
|---|---|
| Molecular Weight | 474.20 g/mol |
| LogP | 5.3718 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.19772 |
| Heavy Atoms | 34 |
| Complexity | 1246.2512 |
Chemical Identifiers
| CAS Number | 172984-47-3 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52 |
Product Overview
RefChem:315939 (CAS 172984-47-3), with molecular formula C28H30N2O3S and molecular weight 474.20 g/mol. IUPAC: ethyl 2-(3-benzyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetate.
Chemical Property Profile of RefChem:315939
Property Insights of RefChem:315939
The XLogP value of 5.3718 indicates that RefChem:315939 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 RefChem:315939. Following Lipinski's Rule of Five, RefChem:315939 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 RefChem:315939?
The CAS number of RefChem:315939 is 172984-47-3.
What is the molecular formula of RefChem:315939?
The molecular formula of RefChem:315939 is C28H30N2O3S.
What is the molecular weight of RefChem:315939?
The molecular weight of RefChem:315939 is 474.20 g/mol.
Where can I buy RefChem:315939?
You can request a quote for RefChem:315939 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:315939?
Yes, KEHONG BIO provides custom synthesis services for RefChem:315939 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.