Methyl 3-Morpholinobenzoate
TL;DR: Methyl 3-Morpholinobenzoate (CAS 197172-69-3) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-morpholin-4-ylbenzoate
Also Known As: Methyl 3-Morpholinobenzoate, null, methyl 3-morpholin-4-ylbenzoate, Methyl 3-morpholin-4-yl-benzoate, 3-(4-Morpholinyl)benzoic Acid Methyl Ester
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 1.3098 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 372.28156 |
Chemical Identifiers
| CAS Number | 197172-69-3 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC=C1)N2CCOCC2 |
Product Overview
Methyl 3-Morpholinobenzoate (CAS 197172-69-3), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: methyl 3-morpholin-4-ylbenzoate.
Chemical Property Profile of Methyl 3-Morpholinobenzoate
Property Insights of Methyl 3-Morpholinobenzoate
The XLogP value of 1.3098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-Morpholinobenzoate. With a topological polar surface area (TPSA) of 38.77 Ų, Methyl 3-Morpholinobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 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 Methyl 3-Morpholinobenzoate?
The CAS number of Methyl 3-Morpholinobenzoate is 197172-69-3.
What is the molecular formula of Methyl 3-Morpholinobenzoate?
The molecular formula of Methyl 3-Morpholinobenzoate is C12H15NO3.
What is the molecular weight of Methyl 3-Morpholinobenzoate?
The molecular weight of Methyl 3-Morpholinobenzoate is 221.11 g/mol.
Where can I buy Methyl 3-Morpholinobenzoate?
You can request a quote for Methyl 3-Morpholinobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-Morpholinobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-Morpholinobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.