1-Methyl-2-(4-morpholinyl)ethyl 3-bromobenzoate hydrochloride
TL;DR: 1-Methyl-2-(4-morpholinyl)ethyl 3-bromobenzoate hydrochloride (CAS 1052403-76-5) is a chemical compound with molecular formula C14H19BrClNO3 and molecular weight 363.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-morpholin-4-ylpropan-2-yl 3-bromobenzoate;hydrochloride
Also Known As: 1-morpholinopropan-2-yl 3-bromobenzoate hydrochloride, 1-morpholin-4-ylpropan-2-yl 3-bromobenzoate hydrochloride, 1-methyl-2-(4-morpholinyl)ethyl 3-bromobenzoate hydrochloride
| Molecular Formula | C14H19BrClNO3 |
|---|---|
| Molecular Weight | 363.02 g/mol |
| LogP | 2.7484 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.02368 |
| Heavy Atoms | 20 |
| Complexity | 438.18213 |
Chemical Identifiers
| CAS Number | 1052403-76-5 |
|---|---|
| SMILES | CC(CN1CCOCC1)OC(=O)C2=CC(=CC=C2)Br.Cl |
Product Overview
1-Methyl-2-(4-morpholinyl)ethyl 3-bromobenzoate hydrochloride (CAS 1052403-76-5), with molecular formula C14H19BrClNO3 and molecular weight 363.02 g/mol. IUPAC: 1-morpholin-4-ylpropan-2-yl 3-bromobenzoate;hydrochloride.
Chemical Property Profile of 1-Methyl-2-(4-morpholinyl)ethyl 3-bromobenzoate hydrochloride
Property Insights of 1-Methyl-2-(4-morpholinyl)ethyl 3-bromobenzoate hydrochloride
The XLogP value of 2.7484 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-2-(4-morpholinyl)ethyl 3-bromobenzoate hydrochloride. With a topological polar surface area (TPSA) of 38.77 Ų, 1-Methyl-2-(4-morpholinyl)ethyl 3-bromobenzoate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-2-(4-morpholinyl)ethyl 3-bromobenzoate hydrochloride 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 1-Methyl-2-(4-morpholinyl)ethyl 3-bromobenzoate hydrochloride?
The CAS number of 1-Methyl-2-(4-morpholinyl)ethyl 3-bromobenzoate hydrochloride is 1052403-76-5.
What is the molecular formula of 1-Methyl-2-(4-morpholinyl)ethyl 3-bromobenzoate hydrochloride?
The molecular formula of 1-Methyl-2-(4-morpholinyl)ethyl 3-bromobenzoate hydrochloride is C14H19BrClNO3.
What is the molecular weight of 1-Methyl-2-(4-morpholinyl)ethyl 3-bromobenzoate hydrochloride?
The molecular weight of 1-Methyl-2-(4-morpholinyl)ethyl 3-bromobenzoate hydrochloride is 363.02 g/mol.
Where can I buy 1-Methyl-2-(4-morpholinyl)ethyl 3-bromobenzoate hydrochloride?
You can request a quote for 1-Methyl-2-(4-morpholinyl)ethyl 3-bromobenzoate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2-(4-morpholinyl)ethyl 3-bromobenzoate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-(4-morpholinyl)ethyl 3-bromobenzoate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.