RefChem:381000
TL;DR: RefChem:381000 (CAS 172984-37-1) 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.
3-methyl-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: Spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-4(6H)-one, 3-methyl-2-(2-propenylthio)-, 2-(Allythio)-3-methyl-4-oxo-1,2,3,4,5,6-hexahydrospiro(benzo(h)quinazoline-5,1'-cyclohexane), 3-Methyl-2-(2-propenylthio)spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-4(6H)-one, AE-848/11105196, 3-methyl-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
| Molecular Formula | C21H24N2OS |
|---|---|
| Molecular Weight | 352.16 g/mol |
| LogP | 4.4834 |
| 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 | 172984-37-1 |
|---|---|
| SMILES | CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC=C |
Product Overview
RefChem:381000 (CAS 172984-37-1), with molecular formula C21H24N2OS and molecular weight 352.16 g/mol. IUPAC: 3-methyl-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of RefChem:381000
Property Insights of RefChem:381000
The XLogP value of 4.4834 indicates that RefChem:381000 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, RefChem:381000 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:381000 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 RefChem:381000?
The CAS number of RefChem:381000 is 172984-37-1.
What is the molecular formula of RefChem:381000?
The molecular formula of RefChem:381000 is C21H24N2OS.
What is the molecular weight of RefChem:381000?
The molecular weight of RefChem:381000 is 352.16 g/mol.
Where can I buy RefChem:381000?
You can request a quote for RefChem:381000 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:381000?
Yes, KEHONG BIO provides custom synthesis services for RefChem:381000 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.