(Z)-diethyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-6-(hydroxyimino)-4-methylcyclohexane-1,3-dicarboxylate
TL;DR: (Z)-diethyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-6-(hydroxyimino)-4-methylcyclohexane-1,3-dicarboxylate (CAS 1005103-76-3) is a chemical compound with molecular formula C21H29NO8 and molecular weight 423.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl (6Z)-2-(3,4-dimethoxyphenyl)-4-hydroxy-6-hydroxyimino-4-methylcyclohexane-1,3-dicarboxylate
Also Known As: (Z)-diethyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-6-(hydroxyimino)-4-methylcyclohexane-1,3-dicarboxylate, diethyl (6Z)-2-(3,4-dimethoxyphenyl)-4-hydroxy-6-(hydroxyimino)-4-methylcyclohexane-1,3-dicarboxylate
| Molecular Formula | C21H29NO8 |
|---|---|
| Molecular Weight | 423.19 g/mol |
| LogP | 2.1309 |
| Topological Polar Surface Area | 123.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 423.18933 |
| Heavy Atoms | 30 |
| Complexity | 804.19617 |
Chemical Identifiers
| CAS Number | 1005103-76-3 |
|---|---|
| SMILES | CCOC(=O)C\1C(C(C(C/C1=N/O)(C)O)C(=O)OCC)C2=CC(=C(C=C2)OC)OC |
Product Overview
(Z)-diethyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-6-(hydroxyimino)-4-methylcyclohexane-1,3-dicarboxylate (CAS 1005103-76-3), with molecular formula C21H29NO8 and molecular weight 423.19 g/mol. IUPAC: diethyl (6Z)-2-(3,4-dimethoxyphenyl)-4-hydroxy-6-hydroxyimino-4-methylcyclohexane-1,3-dicarboxylate.
Chemical Property Profile of (Z)-diethyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-6-(hydroxyimino)-4-methylcyclohexane-1,3-dicarboxylate
Property Insights of (Z)-diethyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-6-(hydroxyimino)-4-methylcyclohexane-1,3-dicarboxylate
The XLogP value of 2.1309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-diethyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-6-(hydroxyimino)-4-methylcyclohexane-1,3-dicarboxylate. The TPSA of 123.88 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-diethyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-6-(hydroxyimino)-4-methylcyclohexane-1,3-dicarboxylate. Following Lipinski's Rule of Five, (Z)-diethyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-6-(hydroxyimino)-4-methylcyclohexane-1,3-dicarboxylate has 2 hydrogen bond donor(s) and 9 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 (Z)-diethyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-6-(hydroxyimino)-4-methylcyclohexane-1,3-dicarboxylate?
The CAS number of (Z)-diethyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-6-(hydroxyimino)-4-methylcyclohexane-1,3-dicarboxylate is 1005103-76-3.
What is the molecular formula of (Z)-diethyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-6-(hydroxyimino)-4-methylcyclohexane-1,3-dicarboxylate?
The molecular formula of (Z)-diethyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-6-(hydroxyimino)-4-methylcyclohexane-1,3-dicarboxylate is C21H29NO8.
What is the molecular weight of (Z)-diethyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-6-(hydroxyimino)-4-methylcyclohexane-1,3-dicarboxylate?
The molecular weight of (Z)-diethyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-6-(hydroxyimino)-4-methylcyclohexane-1,3-dicarboxylate is 423.19 g/mol.
Where can I buy (Z)-diethyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-6-(hydroxyimino)-4-methylcyclohexane-1,3-dicarboxylate?
You can request a quote for (Z)-diethyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-6-(hydroxyimino)-4-methylcyclohexane-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-diethyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-6-(hydroxyimino)-4-methylcyclohexane-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-diethyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-6-(hydroxyimino)-4-methylcyclohexane-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.