AQ-149/41675246
TL;DR: AQ-149/41675246 (CAS 1005106-64-8) is a chemical compound with molecular formula C21H26O8 and molecular weight 406.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-hydroxy-2-(4-methoxycarbonylphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Also Known As: AQ-149/41675246, diethyl 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate, diethyl 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, diethyl 4-hydroxy-2-(4-methoxycarbonylphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, diethyl 4-hydroxy-2-(4-(methoxycarbonyl)phenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
| Molecular Formula | C21H26O8 |
|---|---|
| Molecular Weight | 406.16 g/mol |
| LogP | 1.6392 |
| Topological Polar Surface Area | 116.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.16278 |
| Heavy Atoms | 29 |
| Complexity | 780.37573 |
Chemical Identifiers
| CAS Number | 1005106-64-8 |
|---|---|
| SMILES | CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC=C(C=C2)C(=O)OC |
Product Overview
AQ-149/41675246 (CAS 1005106-64-8), with molecular formula C21H26O8 and molecular weight 406.16 g/mol. IUPAC: diethyl 4-hydroxy-2-(4-methoxycarbonylphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate.
Chemical Property Profile of AQ-149/41675246
Property Insights of AQ-149/41675246
The XLogP value of 1.6392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AQ-149/41675246. The TPSA of 116.2 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-149/41675246. Following Lipinski's Rule of Five, AQ-149/41675246 has 1 hydrogen bond donor(s) and 8 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 AQ-149/41675246?
The CAS number of AQ-149/41675246 is 1005106-64-8.
What is the molecular formula of AQ-149/41675246?
The molecular formula of AQ-149/41675246 is C21H26O8.
What is the molecular weight of AQ-149/41675246?
The molecular weight of AQ-149/41675246 is 406.16 g/mol.
Where can I buy AQ-149/41675246?
You can request a quote for AQ-149/41675246 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-149/41675246?
Yes, KEHONG BIO provides custom synthesis services for AQ-149/41675246 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.