AE-848/34088053
TL;DR: AE-848/34088053 (CAS 211613-60-4) is a chemical compound with molecular formula C25H27ClN2O2S and molecular weight 454.15 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-7,7-dimethyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-3-carbonitrile
Also Known As: AE-848/34088053, 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-7,7-dimethyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-3-carbonitrile, 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydrospiro[quinoline-4,1'-cyclohexane]-3-carbonitrile, 2'-((2-(4-chlorophenyl)-2-oxoethyl)thio)-7',7'-dimethyl-5'-oxo-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,4'-quinoline]-3'-carbonitrile, 2'-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-7',7'-dimethyl-5'-oxo-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,4'-quinoline]-3'-carbonitrile
| Molecular Formula | C25H27ClN2O2S |
|---|---|
| Molecular Weight | 454.15 g/mol |
| LogP | 6.18798 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.14816 |
| Heavy Atoms | 31 |
| Complexity | 1024.5969 |
Chemical Identifiers
| CAS Number | 211613-60-4 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)C3(CCCCC3)C(=C(N2)SCC(=O)C4=CC=C(C=C4)Cl)C#N)C |
Product Overview
AE-848/34088053 (CAS 211613-60-4), with molecular formula C25H27ClN2O2S and molecular weight 454.15 g/mol. IUPAC: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-7,7-dimethyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-3-carbonitrile.
Chemical Property Profile of AE-848/34088053
Property Insights of AE-848/34088053
The XLogP value of 6.18798 indicates that AE-848/34088053 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.96 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/34088053. Following Lipinski's Rule of Five, AE-848/34088053 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-848/34088053?
The CAS number of AE-848/34088053 is 211613-60-4.
What is the molecular formula of AE-848/34088053?
The molecular formula of AE-848/34088053 is C25H27ClN2O2S.
What is the molecular weight of AE-848/34088053?
The molecular weight of AE-848/34088053 is 454.15 g/mol.
Where can I buy AE-848/34088053?
You can request a quote for AE-848/34088053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/34088053?
Yes, KEHONG BIO provides custom synthesis services for AE-848/34088053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.