ChemDiv1_009157
TL;DR: ChemDiv1_009157 (CAS 332849-62-4) is a chemical compound with molecular formula C22H25N3O2S and molecular weight 395.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-oxo-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetamide
Also Known As: ChemDiv1_009157, BAS 01836160, 2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide, 2-(4-oxo-3-prop-2-enylspiro[3,5,6-trihydrobenzo[h]quinazoline-5,1'-cyclohexane ]-2-ylthio)acetamide, 2-(4-oxo-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetamide
| Molecular Formula | C22H25N3O2S |
|---|---|
| Molecular Weight | 395.17 g/mol |
| LogP | 3.4317 |
| Topological Polar Surface Area | 77.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.16675 |
| Heavy Atoms | 28 |
| Complexity | 989.7618 |
Chemical Identifiers
| CAS Number | 332849-62-4 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC(=O)N |
Product Overview
ChemDiv1_009157 (CAS 332849-62-4), with molecular formula C22H25N3O2S and molecular weight 395.17 g/mol. IUPAC: 2-(4-oxo-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetamide.
Chemical Property Profile of ChemDiv1_009157
Property Insights of ChemDiv1_009157
The XLogP value of 3.4317 indicates that ChemDiv1_009157 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.98 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009157. Following Lipinski's Rule of Five, ChemDiv1_009157 has 1 hydrogen bond donor(s) and 4 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_009157?
The CAS number of ChemDiv1_009157 is 332849-62-4.
What is the molecular formula of ChemDiv1_009157?
The molecular formula of ChemDiv1_009157 is C22H25N3O2S.
What is the molecular weight of ChemDiv1_009157?
The molecular weight of ChemDiv1_009157 is 395.17 g/mol.
Where can I buy ChemDiv1_009157?
You can request a quote for ChemDiv1_009157 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009157?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009157 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.