4-甲氧酰基苯甲酸乙二醇酯
TL;DR: 4-甲氧酰基苯甲酸乙二醇酯 (CAS 3645-00-9) 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.
4-甲氧酰基苯甲酸乙二醇酯
4-O-(2-hydroxyethyl) 1-O-methyl benzene-1,4-dicarboxylate
Also Known As: 2-Hydroxyethyl methyl terephthalate, Terephthalic Acid 2-Hydroxyethyl Methyl Ester, 2-HydroxyethylMethylTerephthalate, DJQMYWWZWUOCBQ-UHFFFAOYSA-, 1-(2-hydroxyethyl) 4-methyl benzene-1,4-dicarboxylate
| 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 | 243.0 |
Chemical Identifiers
| CAS Number | 3645-00-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C(=O)OCCO |
| InChIKey | DJQMYWWZWUOCBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲氧酰基苯甲酸乙二醇酯 (CAS 3645-00-9), with molecular formula C11H12O5 and molecular weight 224.07 g/mol. IUPAC: 4-O-(2-hydroxyethyl) 1-O-methyl benzene-1,4-dicarboxylate.
Chemical Property Profile of 4-甲氧酰基苯甲酸乙二醇酯
Property Insights of 4-甲氧酰基苯甲酸乙二醇酯
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲氧酰基苯甲酸乙二醇酯. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-甲氧酰基苯甲酸乙二醇酯. Following Lipinski's Rule of Five, 4-甲氧酰基苯甲酸乙二醇酯 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 4-甲氧酰基苯甲酸乙二醇酯?
The CAS number of 4-甲氧酰基苯甲酸乙二醇酯 is 3645-00-9.
What is the molecular formula of 4-甲氧酰基苯甲酸乙二醇酯?
The molecular formula of 4-甲氧酰基苯甲酸乙二醇酯 is C11H12O5.
What is the molecular weight of 4-甲氧酰基苯甲酸乙二醇酯?
The molecular weight of 4-甲氧酰基苯甲酸乙二醇酯 is 224.07 g/mol.
Where can I buy 4-甲氧酰基苯甲酸乙二醇酯?
You can request a quote for 4-甲氧酰基苯甲酸乙二醇酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲氧酰基苯甲酸乙二醇酯?
Yes, KEHONG BIO provides custom synthesis services for 4-甲氧酰基苯甲酸乙二醇酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.