AQ-149/13360472
TL;DR: AQ-149/13360472 (CAS 347363-27-3) is a chemical compound with molecular formula C23H31FO6 and molecular weight 422.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ditert-butyl 2-(3-fluorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Also Known As: AQ-149/13360472, ditert-butyl 2-(3-fluorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, A2217/0093318, di(tert-butyl) 2-(3-fluorophenyl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate, di-tert-butyl 2-(3-fluorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
| Molecular Formula | C23H31FO6 |
|---|---|
| Molecular Weight | 422.21 g/mol |
| LogP | 3.5489 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.21048 |
| Heavy Atoms | 30 |
| Complexity | 830.83044 |
Chemical Identifiers
| CAS Number | 347363-27-3 |
|---|---|
| SMILES | CC1(CC(=O)C(C(C1C(=O)OC(C)(C)C)C2=CC(=CC=C2)F)C(=O)OC(C)(C)C)O |
Product Overview
AQ-149/13360472 (CAS 347363-27-3), with molecular formula C23H31FO6 and molecular weight 422.21 g/mol. IUPAC: ditert-butyl 2-(3-fluorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate.
Chemical Property Profile of AQ-149/13360472
Property Insights of AQ-149/13360472
The XLogP value of 3.5489 indicates that AQ-149/13360472 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-149/13360472. Following Lipinski's Rule of Five, AQ-149/13360472 has 1 hydrogen bond donor(s) and 6 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-149/13360472?
The CAS number of AQ-149/13360472 is 347363-27-3.
What is the molecular formula of AQ-149/13360472?
The molecular formula of AQ-149/13360472 is C23H31FO6.
What is the molecular weight of AQ-149/13360472?
The molecular weight of AQ-149/13360472 is 422.21 g/mol.
Where can I buy AQ-149/13360472?
You can request a quote for AQ-149/13360472 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-149/13360472?
Yes, KEHONG BIO provides custom synthesis services for AQ-149/13360472 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.