AQ-149/41675260
TL;DR: AQ-149/41675260 (CAS 1005066-53-4) is a chemical compound with molecular formula C23H32O7 and molecular weight 420.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ditert-butyl 4-hydroxy-2-(4-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Also Known As: AQ-149/41675260, di-tert-butyl 4-hydroxy-2-(4-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, di(tert-butyl) 4-hydroxy-2-(4-hydroxyphenyl)-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate, ditert-butyl 4-hydroxy-2-(4-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, 1,3-DI-TERT-BUTYL 4-HYDROXY-2-(4-HYDROXYPHENYL)-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE
| Molecular Formula | C23H32O7 |
|---|---|
| Molecular Weight | 420.21 g/mol |
| LogP | 3.1154 |
| Topological Polar Surface Area | 110.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.2148 |
| Heavy Atoms | 30 |
| Complexity | 809.4388 |
Chemical Identifiers
| CAS Number | 1005066-53-4 |
|---|---|
| SMILES | CC1(CC(=O)C(C(C1C(=O)OC(C)(C)C)C2=CC=C(C=C2)O)C(=O)OC(C)(C)C)O |
Product Overview
AQ-149/41675260 (CAS 1005066-53-4), with molecular formula C23H32O7 and molecular weight 420.21 g/mol. IUPAC: ditert-butyl 4-hydroxy-2-(4-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate.
Chemical Property Profile of AQ-149/41675260
Property Insights of AQ-149/41675260
The XLogP value of 3.1154 indicates that AQ-149/41675260 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.13 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-149/41675260. Following Lipinski's Rule of Five, AQ-149/41675260 has 2 hydrogen bond donor(s) and 7 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-149/41675260?
The CAS number of AQ-149/41675260 is 1005066-53-4.
What is the molecular formula of AQ-149/41675260?
The molecular formula of AQ-149/41675260 is C23H32O7.
What is the molecular weight of AQ-149/41675260?
The molecular weight of AQ-149/41675260 is 420.21 g/mol.
Where can I buy AQ-149/41675260?
You can request a quote for AQ-149/41675260 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-149/41675260?
Yes, KEHONG BIO provides custom synthesis services for AQ-149/41675260 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.