ChemDiv3_002682
TL;DR: ChemDiv3_002682 (CAS 332024-46-1) is a chemical compound with molecular formula C21H24N2OS and molecular weight 352.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: ChemDiv3_002682, BAS 00818526, 2-methylsulfanyl-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one, 3-Allyl-2-(methylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, BRD-K02218318-001-01-6
| Molecular Formula | C21H24N2OS |
|---|---|
| Molecular Weight | 352.16 g/mol |
| LogP | 4.5762 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.16095 |
| Heavy Atoms | 25 |
| Complexity | 877.9502 |
Chemical Identifiers
| CAS Number | 332024-46-1 |
|---|---|
| SMILES | CSC1=NC2=C(C(=O)N1CC=C)C3(CCCCC3)CC4=CC=CC=C42 |
Product Overview
ChemDiv3_002682 (CAS 332024-46-1), with molecular formula C21H24N2OS and molecular weight 352.16 g/mol. IUPAC: 2-methylsulfanyl-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of ChemDiv3_002682
Property Insights of ChemDiv3_002682
The XLogP value of 4.5762 indicates that ChemDiv3_002682 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, ChemDiv3_002682 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_002682 has 0 hydrogen bond donor(s) and 3 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 ChemDiv3_002682?
The CAS number of ChemDiv3_002682 is 332024-46-1.
What is the molecular formula of ChemDiv3_002682?
The molecular formula of ChemDiv3_002682 is C21H24N2OS.
What is the molecular weight of ChemDiv3_002682?
The molecular weight of ChemDiv3_002682 is 352.16 g/mol.
Where can I buy ChemDiv3_002682?
You can request a quote for ChemDiv3_002682 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_002682?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_002682 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.