Benzenemethanamine,3-ethyl-4-methoxy
TL;DR: Benzenemethanamine,3-ethyl-4-methoxy (CAS 744198-15-0) is a chemical compound with molecular formula C21H22BrN3O4 and molecular weight 459.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[(2R)-1-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
Also Known As: Benzenemethanamine,3-ethyl-4-methoxy, carbamic acid, [(1R)-2-[[(3-bromo-4,5-dihydro-5-isoxazolyl)methyl]amino]-2-oxo-1-(phenylmethyl)ethyl]-, phenylmethyl ester, 5-(n-benzyloxycarbonyl-d-phenylalaninamidomethyl)-3-bromo-4,5-dihydroisoxazole, (2R)-2-{[(Benzyloxy)(hydroxy)methylidene]amino}-N-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-phenylpropanimidic acid, 2-{[(Benzyloxy)(hydroxy)methylidene]amino}-N-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-phenylpropanimidic acid
| Molecular Formula | C21H22BrN3O4 |
|---|---|
| Molecular Weight | 459.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 89.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 459.07938 |
| Heavy Atoms | 29 |
| Complexity | 574.0 |
Chemical Identifiers
| CAS Number | 744198-15-0 |
|---|---|
| SMILES | C1C(ON=C1Br)CNC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3 |
| InChIKey | FGARZQSJAHGKBO-QRWMCTBCSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenemethanamine,3-ethyl-4-methoxy (CAS 744198-15-0), with molecular formula C21H22BrN3O4 and molecular weight 459.08 g/mol. IUPAC: benzyl N-[(2R)-1-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate.
Chemical Property Profile of Benzenemethanamine,3-ethyl-4-methoxy
Property Insights of Benzenemethanamine,3-ethyl-4-methoxy
The XLogP value of 3.5 indicates that Benzenemethanamine,3-ethyl-4-methoxy is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenemethanamine,3-ethyl-4-methoxy. Following Lipinski's Rule of Five, Benzenemethanamine,3-ethyl-4-methoxy has 2 hydrogen bond donor(s) and 5 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 Benzenemethanamine,3-ethyl-4-methoxy?
The CAS number of Benzenemethanamine,3-ethyl-4-methoxy is 744198-15-0.
What is the molecular formula of Benzenemethanamine,3-ethyl-4-methoxy?
The molecular formula of Benzenemethanamine,3-ethyl-4-methoxy is C21H22BrN3O4.
What is the molecular weight of Benzenemethanamine,3-ethyl-4-methoxy?
The molecular weight of Benzenemethanamine,3-ethyl-4-methoxy is 459.08 g/mol.
Where can I buy Benzenemethanamine,3-ethyl-4-methoxy?
You can request a quote for Benzenemethanamine,3-ethyl-4-methoxy directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanamine,3-ethyl-4-methoxy?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanamine,3-ethyl-4-methoxy and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.