BAS 00553064
TL;DR: BAS 00553064 (CAS 64670-39-9) is a chemical compound with molecular formula C21H28O8 and molecular weight 408.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Also Known As: BAS 00553064, diethyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, AB00096839-01, AE-848/11371423, diethyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate
| Molecular Formula | C21H28O8 |
|---|---|
| Molecular Weight | 408.18 g/mol |
| LogP | 1.8698 |
| Topological Polar Surface Area | 108.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.1784 |
| Heavy Atoms | 29 |
| Complexity | 769.94464 |
Chemical Identifiers
| CAS Number | 64670-39-9 |
|---|---|
| SMILES | CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC(=C(C=C2)OC)OC |
Product Overview
BAS 00553064 (CAS 64670-39-9), with molecular formula C21H28O8 and molecular weight 408.18 g/mol. IUPAC: diethyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate.
Chemical Property Profile of BAS 00553064
Property Insights of BAS 00553064
The XLogP value of 1.8698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00553064. The TPSA of 108.36 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00553064. Following Lipinski's Rule of Five, BAS 00553064 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 BAS 00553064?
The CAS number of BAS 00553064 is 64670-39-9.
What is the molecular formula of BAS 00553064?
The molecular formula of BAS 00553064 is C21H28O8.
What is the molecular weight of BAS 00553064?
The molecular weight of BAS 00553064 is 408.18 g/mol.
Where can I buy BAS 00553064?
You can request a quote for BAS 00553064 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00553064?
Yes, KEHONG BIO provides custom synthesis services for BAS 00553064 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.