1-(2-Methoxyethyl) 1,2-benzenedicarboxylate
TL;DR: 1-(2-Methoxyethyl) 1,2-benzenedicarboxylate (CAS 16501-01-2) is a chemical compound with molecular formula C11H12O5 and molecular weight 224.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methoxyethoxycarbonyl)benzoic acid
Also Known As: Methoxyethyl phthalate, Mono(2-methoxyethyl) phthalate, USAF KE-3, Monomethoxyethyl phthalate, Mono-2-methoxyethyl phthalate
| Molecular Formula | C11H12O5 |
|---|---|
| Molecular Weight | 224.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 224.06847 |
| Heavy Atoms | 16 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 16501-01-2 |
|---|---|
| SMILES | COCCOC(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | NGFWAKGWMSOVMP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Methoxyethyl) 1,2-benzenedicarboxylate (CAS 16501-01-2), with molecular formula C11H12O5 and molecular weight 224.07 g/mol. IUPAC: 2-(2-methoxyethoxycarbonyl)benzoic acid.
Chemical Property Profile of 1-(2-Methoxyethyl) 1,2-benzenedicarboxylate
Property Insights of 1-(2-Methoxyethyl) 1,2-benzenedicarboxylate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Methoxyethyl) 1,2-benzenedicarboxylate. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Methoxyethyl) 1,2-benzenedicarboxylate. Following Lipinski's Rule of Five, 1-(2-Methoxyethyl) 1,2-benzenedicarboxylate has 1 hydrogen bond donor(s) and 5 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 1-(2-Methoxyethyl) 1,2-benzenedicarboxylate?
The CAS number of 1-(2-Methoxyethyl) 1,2-benzenedicarboxylate is 16501-01-2.
What is the molecular formula of 1-(2-Methoxyethyl) 1,2-benzenedicarboxylate?
The molecular formula of 1-(2-Methoxyethyl) 1,2-benzenedicarboxylate is C11H12O5.
What is the molecular weight of 1-(2-Methoxyethyl) 1,2-benzenedicarboxylate?
The molecular weight of 1-(2-Methoxyethyl) 1,2-benzenedicarboxylate is 224.07 g/mol.
Where can I buy 1-(2-Methoxyethyl) 1,2-benzenedicarboxylate?
You can request a quote for 1-(2-Methoxyethyl) 1,2-benzenedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Methoxyethyl) 1,2-benzenedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methoxyethyl) 1,2-benzenedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.