AE-848/09437053
TL;DR: AE-848/09437053 (CAS 330677-35-5) is a chemical compound with molecular formula C21H18FNO5S and molecular weight 415.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5,5-dimethyl-2-(4-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 4-fluorobenzoate
Also Known As: AE-848/09437053, 5,5-dimethyl-2-[(4-nitrophenyl)sulfanyl]-3-oxocyclohex-1-en-1-yl 4-fluorobenzoate, [5,5-dimethyl-2-(4-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 4-fluorobenzoate, 2-({4-nitrophenyl}sulfanyl)-5,5-dimethyl-3-oxo-1-cyclohexen-1-yl 4-fluorobenzoate, 4-F-BENZOIC ACID 5,5-DI-ME-2-(4-NITRO-PHENYLSULFANYL)3-OXO-CYCLOHEX-1-ENYL ESTER
| Molecular Formula | C21H18FNO5S |
|---|---|
| Molecular Weight | 415.09 g/mol |
| LogP | 5.2837 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.08896 |
| Heavy Atoms | 29 |
| Complexity | 996.73645 |
Chemical Identifiers
| CAS Number | 330677-35-5 |
|---|---|
| SMILES | CC1(CC(=C(C(=O)C1)SC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)F)C |
Product Overview
AE-848/09437053 (CAS 330677-35-5), with molecular formula C21H18FNO5S and molecular weight 415.09 g/mol. IUPAC: [5,5-dimethyl-2-(4-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 4-fluorobenzoate.
Chemical Property Profile of AE-848/09437053
Property Insights of AE-848/09437053
The XLogP value of 5.2837 indicates that AE-848/09437053 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/09437053. Following Lipinski's Rule of Five, AE-848/09437053 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-848/09437053?
The CAS number of AE-848/09437053 is 330677-35-5.
What is the molecular formula of AE-848/09437053?
The molecular formula of AE-848/09437053 is C21H18FNO5S.
What is the molecular weight of AE-848/09437053?
The molecular weight of AE-848/09437053 is 415.09 g/mol.
Where can I buy AE-848/09437053?
You can request a quote for AE-848/09437053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/09437053?
Yes, KEHONG BIO provides custom synthesis services for AE-848/09437053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.