Methyl 3-fluoro-4-morpholinobenzoate
TL;DR: Methyl 3-fluoro-4-morpholinobenzoate (CAS 495406-77-4) is a chemical compound with molecular formula C12H14FNO3 and molecular weight 239.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-fluoro-4-morpholin-4-ylbenzoate
Also Known As: Methyl 3-fluoro-4-morpholinobenzoate, methyl 3-fluoro-4-morpholin-4-ylbenzoate, methyl 3-fluoro-4-morpholinobenzenecarboxylate, Methyl3-fluoro-4-morpholinobenzoate, 1-(3-amino-4-methoxyphenyl)ethanol
| Molecular Formula | C12H14FNO3 |
|---|---|
| Molecular Weight | 239.10 g/mol |
| LogP | 1.4489 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.09576 |
| Heavy Atoms | 17 |
| Complexity | 416.21182 |
Chemical Identifiers
| CAS Number | 495406-77-4 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)N2CCOCC2)F |
Product Overview
Methyl 3-fluoro-4-morpholinobenzoate (CAS 495406-77-4), with molecular formula C12H14FNO3 and molecular weight 239.10 g/mol. IUPAC: methyl 3-fluoro-4-morpholin-4-ylbenzoate.
Chemical Property Profile of Methyl 3-fluoro-4-morpholinobenzoate
Property Insights of Methyl 3-fluoro-4-morpholinobenzoate
The XLogP value of 1.4489 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-fluoro-4-morpholinobenzoate. With a topological polar surface area (TPSA) of 38.77 Ų, Methyl 3-fluoro-4-morpholinobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-fluoro-4-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-fluoro-4-morpholinobenzoate?
The CAS number of Methyl 3-fluoro-4-morpholinobenzoate is 495406-77-4.
What is the molecular formula of Methyl 3-fluoro-4-morpholinobenzoate?
The molecular formula of Methyl 3-fluoro-4-morpholinobenzoate is C12H14FNO3.
What is the molecular weight of Methyl 3-fluoro-4-morpholinobenzoate?
The molecular weight of Methyl 3-fluoro-4-morpholinobenzoate is 239.10 g/mol.
Where can I buy Methyl 3-fluoro-4-morpholinobenzoate?
You can request a quote for Methyl 3-fluoro-4-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-fluoro-4-morpholinobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-fluoro-4-morpholinobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.