2-(3,4-Diethoxyphenyl)-2-oxoacetaldehyde hydrate
TL;DR: 2-(3,4-Diethoxyphenyl)-2-oxoacetaldehyde hydrate (CAS 1052509-99-5) is a chemical compound with molecular formula C12H16O5 and molecular weight 240.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-diethoxyphenyl)-2-oxoacetaldehyde;hydrate
Also Known As: 2-(3,4-diethoxyphenyl)-2-oxoacetaldehyde hydrate, (3,4-DIETHOXYPHENYL)(OXO)ACETALDEHYDE HYDRATE, 2-(3,4-diethoxyphenyl)-2-oxoacetaldehyde;hydrate, 1H-Imidazo[4,5-b]pyridine,2-(4-chlorophenyl), 2-(3,4-diethoxyphenyl)-2-oxoacetaldehydehydrate
| Molecular Formula | C12H16O5 |
|---|---|
| Molecular Weight | 240.10 g/mol |
| LogP | 1.0409 |
| Topological Polar Surface Area | 84.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 240.09978 |
| Heavy Atoms | 17 |
| Complexity | 386.48242 |
Chemical Identifiers
| CAS Number | 1052509-99-5 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)C=O)OCC.O |
Product Overview
2-(3,4-Diethoxyphenyl)-2-oxoacetaldehyde hydrate (CAS 1052509-99-5), with molecular formula C12H16O5 and molecular weight 240.10 g/mol. IUPAC: 2-(3,4-diethoxyphenyl)-2-oxoacetaldehyde;hydrate.
Chemical Property Profile of 2-(3,4-Diethoxyphenyl)-2-oxoacetaldehyde hydrate
Property Insights of 2-(3,4-Diethoxyphenyl)-2-oxoacetaldehyde hydrate
The XLogP value of 1.0409 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-Diethoxyphenyl)-2-oxoacetaldehyde hydrate. The TPSA of 84.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-Diethoxyphenyl)-2-oxoacetaldehyde hydrate. Following Lipinski's Rule of Five, 2-(3,4-Diethoxyphenyl)-2-oxoacetaldehyde hydrate has 0 hydrogen bond donor(s) and 4 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 2-(3,4-Diethoxyphenyl)-2-oxoacetaldehyde hydrate?
The CAS number of 2-(3,4-Diethoxyphenyl)-2-oxoacetaldehyde hydrate is 1052509-99-5.
What is the molecular formula of 2-(3,4-Diethoxyphenyl)-2-oxoacetaldehyde hydrate?
The molecular formula of 2-(3,4-Diethoxyphenyl)-2-oxoacetaldehyde hydrate is C12H16O5.
What is the molecular weight of 2-(3,4-Diethoxyphenyl)-2-oxoacetaldehyde hydrate?
The molecular weight of 2-(3,4-Diethoxyphenyl)-2-oxoacetaldehyde hydrate is 240.10 g/mol.
Where can I buy 2-(3,4-Diethoxyphenyl)-2-oxoacetaldehyde hydrate?
You can request a quote for 2-(3,4-Diethoxyphenyl)-2-oxoacetaldehyde hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-Diethoxyphenyl)-2-oxoacetaldehyde hydrate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Diethoxyphenyl)-2-oxoacetaldehyde hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.