AL-281/36997033
TL;DR: AL-281/36997033 (CAS 330181-83-4) is a chemical compound with molecular formula C31H27ClN2O2S and molecular weight 526.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: AL-281/36997033, 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one, 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclopentane)-4(3H)-one, 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-(p-tolyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
| Molecular Formula | C31H27ClN2O2S |
|---|---|
| Molecular Weight | 526.15 g/mol |
| LogP | 7.20422 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 526.1482 |
| Heavy Atoms | 37 |
| Complexity | 1552.1371 |
Chemical Identifiers
| CAS Number | 330181-83-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC(=O)C6=CC=C(C=C6)Cl |
Product Overview
AL-281/36997033 (CAS 330181-83-4), with molecular formula C31H27ClN2O2S and molecular weight 526.15 g/mol. IUPAC: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of AL-281/36997033
Property Insights of AL-281/36997033
The XLogP value of 7.20422 indicates that AL-281/36997033 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, AL-281/36997033 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AL-281/36997033 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AL-281/36997033?
The CAS number of AL-281/36997033 is 330181-83-4.
What is the molecular formula of AL-281/36997033?
The molecular formula of AL-281/36997033 is C31H27ClN2O2S.
What is the molecular weight of AL-281/36997033?
The molecular weight of AL-281/36997033 is 526.15 g/mol.
Where can I buy AL-281/36997033?
You can request a quote for AL-281/36997033 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AL-281/36997033?
Yes, KEHONG BIO provides custom synthesis services for AL-281/36997033 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.