RefChem:273823
TL;DR: RefChem:273823 (CAS 429624-17-9) is a chemical compound with molecular formula C26H24N2OS and molecular weight 412.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylphenyl)-2-prop-2-ynylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: AJ-292/42818571, 3-(2-methylphenyl)-2-prop-2-ynylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one, 3-(2-Methylphenyl)-2-(2-propyn-1-ylthio)spiro[benzo[h]quinazoline-5(3H),1'-cyclopentan]-4(6H)-one, 3-(2-methylphenyl)-2-(2-propynylsulfanyl)-spiro([5,6]dihydrobenzo[h]quinazoline-5,1'-cyclopentane)-4(3H)-one, 3-(2-Methylphenyl)-2-(2-propyn-1-ylthio)spiro(benzo(h)quinazoline-5(3H),1'-cyclopentan)-4(6H)-one
| Molecular Formula | C26H24N2OS |
|---|---|
| Molecular Weight | 412.16 g/mol |
| LogP | 5.30112 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.16095 |
| Heavy Atoms | 30 |
| Complexity | 1228.5115 |
Chemical Identifiers
| CAS Number | 429624-17-9 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC#C |
Product Overview
RefChem:273823 (CAS 429624-17-9), with molecular formula C26H24N2OS and molecular weight 412.16 g/mol. IUPAC: 3-(2-methylphenyl)-2-prop-2-ynylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of RefChem:273823
Property Insights of RefChem:273823
The XLogP value of 5.30112 indicates that RefChem:273823 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:273823 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:273823 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:273823?
The CAS number of RefChem:273823 is 429624-17-9.
What is the molecular formula of RefChem:273823?
The molecular formula of RefChem:273823 is C26H24N2OS.
What is the molecular weight of RefChem:273823?
The molecular weight of RefChem:273823 is 412.16 g/mol.
Where can I buy RefChem:273823?
You can request a quote for RefChem:273823 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:273823?
Yes, KEHONG BIO provides custom synthesis services for RefChem:273823 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.