Diethyl(3,4,5-trimethoxybenzyl)propanedioate
TL;DR: Diethyl(3,4,5-trimethoxybenzyl)propanedioate (CAS 99401-76-0) is a chemical compound with molecular formula C17H24O7 and molecular weight 340.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(3,4,5-trimethoxyphenyl)methyl]propanedioate
Also Known As: NCIOpen2_007445, diethyl(3,4,5-trimethoxybenzyl)propanedioate, diethyl 2-[(3,4,5-trimethoxyphenyl)methyl]propanedioate, J3.014.626C, Diethy 2-[(3,4,5-trimethoxyphenyl)methyl]malonate
| Molecular Formula | C17H24O7 |
|---|---|
| Molecular Weight | 340.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 340.1522 |
| Heavy Atoms | 24 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 99401-76-0 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC(=C(C(=C1)OC)OC)OC)C(=O)OCC |
| InChIKey | PYBGZUGFGVDXBA-UHFFFAOYSA-N |
Product Overview
Diethyl(3,4,5-trimethoxybenzyl)propanedioate (CAS 99401-76-0), with molecular formula C17H24O7 and molecular weight 340.15 g/mol. IUPAC: diethyl 2-[(3,4,5-trimethoxyphenyl)methyl]propanedioate.
Chemical Property Profile of Diethyl(3,4,5-trimethoxybenzyl)propanedioate
Property Insights of Diethyl(3,4,5-trimethoxybenzyl)propanedioate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl(3,4,5-trimethoxybenzyl)propanedioate. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl(3,4,5-trimethoxybenzyl)propanedioate. Following Lipinski's Rule of Five, Diethyl(3,4,5-trimethoxybenzyl)propanedioate has 0 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 Diethyl(3,4,5-trimethoxybenzyl)propanedioate?
The CAS number of Diethyl(3,4,5-trimethoxybenzyl)propanedioate is 99401-76-0.
What is the molecular formula of Diethyl(3,4,5-trimethoxybenzyl)propanedioate?
The molecular formula of Diethyl(3,4,5-trimethoxybenzyl)propanedioate is C17H24O7.
What is the molecular weight of Diethyl(3,4,5-trimethoxybenzyl)propanedioate?
The molecular weight of Diethyl(3,4,5-trimethoxybenzyl)propanedioate is 340.15 g/mol.
Where can I buy Diethyl(3,4,5-trimethoxybenzyl)propanedioate?
You can request a quote for Diethyl(3,4,5-trimethoxybenzyl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl(3,4,5-trimethoxybenzyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl(3,4,5-trimethoxybenzyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.