5-(4-Fluoro-benzylamino)-2-morpholin-4-yl-benzoic acid
TL;DR: 5-(4-Fluoro-benzylamino)-2-morpholin-4-yl-benzoic acid (CAS 728027-75-6) is a chemical compound with molecular formula C18H19FN2O3 and molecular weight 330.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoic acid
Also Known As: BAS 11358764, 5-(4-Fluoro-benzylamino)-2-morpholin-4-yl-benzoic acid, 5-((4-fluorobenzyl)amino)-2-morpholinobenzoic acid, 5-[(4-fluorobenzyl)amino]-2-(morpholin-4-yl)benzoic acid, 5-[(4-fluorobenzyl)amino]-2-morpholino-benzoic acid
| Molecular Formula | C18H19FN2O3 |
|---|---|
| Molecular Weight | 330.14 g/mol |
| LogP | 2.9726 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.13797 |
| Heavy Atoms | 24 |
| Complexity | 712.70386 |
Chemical Identifiers
| CAS Number | 728027-75-6 |
|---|---|
| SMILES | C1COCCN1C2=C(C=C(C=C2)NCC3=CC=C(C=C3)F)C(=O)O |
Product Overview
5-(4-Fluoro-benzylamino)-2-morpholin-4-yl-benzoic acid (CAS 728027-75-6), with molecular formula C18H19FN2O3 and molecular weight 330.14 g/mol. IUPAC: 5-[(4-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoic acid.
Chemical Property Profile of 5-(4-Fluoro-benzylamino)-2-morpholin-4-yl-benzoic acid
Property Insights of 5-(4-Fluoro-benzylamino)-2-morpholin-4-yl-benzoic acid
The XLogP value of 2.9726 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Fluoro-benzylamino)-2-morpholin-4-yl-benzoic acid. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Fluoro-benzylamino)-2-morpholin-4-yl-benzoic acid. Following Lipinski's Rule of Five, 5-(4-Fluoro-benzylamino)-2-morpholin-4-yl-benzoic acid has 2 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 5-(4-Fluoro-benzylamino)-2-morpholin-4-yl-benzoic acid?
The CAS number of 5-(4-Fluoro-benzylamino)-2-morpholin-4-yl-benzoic acid is 728027-75-6.
What is the molecular formula of 5-(4-Fluoro-benzylamino)-2-morpholin-4-yl-benzoic acid?
The molecular formula of 5-(4-Fluoro-benzylamino)-2-morpholin-4-yl-benzoic acid is C18H19FN2O3.
What is the molecular weight of 5-(4-Fluoro-benzylamino)-2-morpholin-4-yl-benzoic acid?
The molecular weight of 5-(4-Fluoro-benzylamino)-2-morpholin-4-yl-benzoic acid is 330.14 g/mol.
Where can I buy 5-(4-Fluoro-benzylamino)-2-morpholin-4-yl-benzoic acid?
You can request a quote for 5-(4-Fluoro-benzylamino)-2-morpholin-4-yl-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Fluoro-benzylamino)-2-morpholin-4-yl-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Fluoro-benzylamino)-2-morpholin-4-yl-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.