1-Methoxyethyl benzoate
TL;DR: 1-Methoxyethyl benzoate (CAS 51835-44-0) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxyethyl benzoate
Also Known As: 1-Methoxyethyl benzoate, 1-Methoxyethanol benzoate, 1-Methoxyethyl benzoate #, Ethanol, 1-methoxy-, benzoate, Benzoic acid 1-methoxyethyl ester
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 51835-44-0 |
|---|---|
| SMILES | CC(OC)OC(=O)C1=CC=CC=C1 |
| InChIKey | XNFOBPBXXUROKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methoxyethyl benzoate (CAS 51835-44-0), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: 1-methoxyethyl benzoate.
Chemical Property Profile of 1-Methoxyethyl benzoate
Property Insights of 1-Methoxyethyl benzoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methoxyethyl benzoate. With a topological polar surface area (TPSA) of 35.5 Ų, 1-Methoxyethyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methoxyethyl benzoate has 0 hydrogen bond donor(s) and 3 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-Methoxyethyl benzoate?
The CAS number of 1-Methoxyethyl benzoate is 51835-44-0.
What is the molecular formula of 1-Methoxyethyl benzoate?
The molecular formula of 1-Methoxyethyl benzoate is C10H12O3.
What is the molecular weight of 1-Methoxyethyl benzoate?
The molecular weight of 1-Methoxyethyl benzoate is 180.08 g/mol.
Where can I buy 1-Methoxyethyl benzoate?
You can request a quote for 1-Methoxyethyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methoxyethyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methoxyethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.