Ethyl 3-morpholinobenzoate
TL;DR: Ethyl 3-morpholinobenzoate (CAS 145127-37-3) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-morpholin-4-ylbenzoate
Also Known As: Ethyl 3-morpholinobenzoate, Methyl 3-Morpholinobenzoate, ethyl 3-morpholin-4-ylbenzoate, ETHYL 3-(MORPHOLIN-4-YL)BENZOATE, 3-Morpholinobenzoic acid ethyl ester
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | 1.6999 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 386.0059 |
Chemical Identifiers
| CAS Number | 145127-37-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)N2CCOCC2 |
Product Overview
Ethyl 3-morpholinobenzoate (CAS 145127-37-3), with molecular formula C13H17NO3 and molecular weight 235.12 g/mol. IUPAC: ethyl 3-morpholin-4-ylbenzoate.
Chemical Property Profile of Ethyl 3-morpholinobenzoate
Property Insights of Ethyl 3-morpholinobenzoate
The XLogP value of 1.6999 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-morpholinobenzoate. With a topological polar surface area (TPSA) of 38.77 Ų, Ethyl 3-morpholinobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-morpholinobenzoate has 0 hydrogen bond donor(s) and 4 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 Ethyl 3-morpholinobenzoate?
The CAS number of Ethyl 3-morpholinobenzoate is 145127-37-3.
What is the molecular formula of Ethyl 3-morpholinobenzoate?
The molecular formula of Ethyl 3-morpholinobenzoate is C13H17NO3.
What is the molecular weight of Ethyl 3-morpholinobenzoate?
The molecular weight of Ethyl 3-morpholinobenzoate is 235.12 g/mol.
Where can I buy Ethyl 3-morpholinobenzoate?
You can request a quote for Ethyl 3-morpholinobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-morpholinobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-morpholinobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.