Bis(ethoxycarbonylmethyl) benzene-1,4-dicarboxylate
TL;DR: Bis(ethoxycarbonylmethyl) benzene-1,4-dicarboxylate (CAS 1830-02-0) is a chemical compound with molecular formula C16H18O8 and molecular weight 338.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-ethoxy-2-oxoethyl) benzene-1,4-dicarboxylate
Also Known As: bis(2-ethoxy-2-oxoethyl) benzene-1,4-dicarboxylate, BIS(ETHOXYCARBONYLMETHYL) BENZENE-1,4-DICARBOXYLATE
| Molecular Formula | C16H18O8 |
|---|---|
| Molecular Weight | 338.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 338.10016 |
| Heavy Atoms | 24 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 1830-02-0 |
|---|---|
| SMILES | CCOC(=O)COC(=O)C1=CC=C(C=C1)C(=O)OCC(=O)OCC |
| InChIKey | LLWQUPVVQFMZIC-UHFFFAOYSA-N |
Product Overview
Bis(ethoxycarbonylmethyl) benzene-1,4-dicarboxylate (CAS 1830-02-0), with molecular formula C16H18O8 and molecular weight 338.10 g/mol. IUPAC: bis(2-ethoxy-2-oxoethyl) benzene-1,4-dicarboxylate.
Chemical Property Profile of Bis(ethoxycarbonylmethyl) benzene-1,4-dicarboxylate
Property Insights of Bis(ethoxycarbonylmethyl) benzene-1,4-dicarboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(ethoxycarbonylmethyl) benzene-1,4-dicarboxylate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(ethoxycarbonylmethyl) benzene-1,4-dicarboxylate. Following Lipinski's Rule of Five, Bis(ethoxycarbonylmethyl) benzene-1,4-dicarboxylate has 0 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 Bis(ethoxycarbonylmethyl) benzene-1,4-dicarboxylate?
The CAS number of Bis(ethoxycarbonylmethyl) benzene-1,4-dicarboxylate is 1830-02-0.
What is the molecular formula of Bis(ethoxycarbonylmethyl) benzene-1,4-dicarboxylate?
The molecular formula of Bis(ethoxycarbonylmethyl) benzene-1,4-dicarboxylate is C16H18O8.
What is the molecular weight of Bis(ethoxycarbonylmethyl) benzene-1,4-dicarboxylate?
The molecular weight of Bis(ethoxycarbonylmethyl) benzene-1,4-dicarboxylate is 338.10 g/mol.
Where can I buy Bis(ethoxycarbonylmethyl) benzene-1,4-dicarboxylate?
You can request a quote for Bis(ethoxycarbonylmethyl) benzene-1,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(ethoxycarbonylmethyl) benzene-1,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Bis(ethoxycarbonylmethyl) benzene-1,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.