ChemDiv1_021233
TL;DR: ChemDiv1_021233 (CAS 172984-33-7) is a chemical compound with molecular formula C18H20N2OS and molecular weight 312.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: ChemDiv1_021233, BAS 00335932, AE-848/31945061, 3-methyl-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one, 3-methyl-2-thioxo-2,3,5,6-tetrahydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-4(1H)-one
| Molecular Formula | C18H20N2OS |
|---|---|
| Molecular Weight | 312.13 g/mol |
| LogP | 3.86789 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 312.12964 |
| Heavy Atoms | 22 |
| Complexity | 856.1214 |
Chemical Identifiers
| CAS Number | 172984-33-7 |
|---|---|
| SMILES | CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)NC1=S |
Product Overview
ChemDiv1_021233 (CAS 172984-33-7), with molecular formula C18H20N2OS and molecular weight 312.13 g/mol. IUPAC: 3-methyl-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of ChemDiv1_021233
Property Insights of ChemDiv1_021233
The XLogP value of 3.86789 indicates that ChemDiv1_021233 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.79 Ų, ChemDiv1_021233 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_021233 has 1 hydrogen bond donor(s) and 2 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_021233?
The CAS number of ChemDiv1_021233 is 172984-33-7.
What is the molecular formula of ChemDiv1_021233?
The molecular formula of ChemDiv1_021233 is C18H20N2OS.
What is the molecular weight of ChemDiv1_021233?
The molecular weight of ChemDiv1_021233 is 312.13 g/mol.
Where can I buy ChemDiv1_021233?
You can request a quote for ChemDiv1_021233 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021233?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021233 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.