ChemDiv1_025990
TL;DR: ChemDiv1_025990 (CAS 286000-46-2) is a chemical compound with molecular formula C24H24N2OS and molecular weight 388.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: ChemDiv1_025990, 3-(4-methylphenyl)-2-thioxo-2,3,5,6-tetrahydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-4(1H)-one, AL-281/11392031, 3-(4-methylphenyl)-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one, A2059/0086648
| Molecular Formula | C24H24N2OS |
|---|---|
| Molecular Weight | 388.16 g/mol |
| LogP | 5.62851 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 388.16095 |
| Heavy Atoms | 28 |
| Complexity | 1164.445 |
Chemical Identifiers
| CAS Number | 286000-46-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)NC2=S |
Product Overview
ChemDiv1_025990 (CAS 286000-46-2), with molecular formula C24H24N2OS and molecular weight 388.16 g/mol. IUPAC: 3-(4-methylphenyl)-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of ChemDiv1_025990
Property Insights of ChemDiv1_025990
The XLogP value of 5.62851 indicates that ChemDiv1_025990 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_025990 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_025990 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_025990?
The CAS number of ChemDiv1_025990 is 286000-46-2.
What is the molecular formula of ChemDiv1_025990?
The molecular formula of ChemDiv1_025990 is C24H24N2OS.
What is the molecular weight of ChemDiv1_025990?
The molecular weight of ChemDiv1_025990 is 388.16 g/mol.
Where can I buy ChemDiv1_025990?
You can request a quote for ChemDiv1_025990 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025990?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025990 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.