Dihydroisoxazole, 1h
TL;DR: Dihydroisoxazole, 1h (CAS 744198-09-2) 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-[(2S)-1-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
Also Known As: Dihydroisoxazole, 1h, benzyl N-[(2S)-1-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate, {(s)-1-[(3-bromo-4,5-dihydro-isoxazol-5-ylmethyl)-carbamoyl]-2-phenyl-ethyl}-carbamic acid benzyl ester, Benzyl N-[(1R)-1-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methylcarbamoyl]-2-phenyl-ethyl]carbamate, carbamic acid, [(1S)-2-[[(3-bromo-4,5-dihydro-5-isoxazolyl)methyl]amino]-2-oxo-1-(phenylmethyl)ethyl]-, phenylmethyl ester
| 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 | 744198-09-2 |
|---|---|
| SMILES | C1C(ON=C1Br)CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3 |
| InChIKey | FGARZQSJAHGKBO-ZVAWYAOSSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dihydroisoxazole, 1h (CAS 744198-09-2), with molecular formula C21H22BrN3O4 and molecular weight 459.08 g/mol. IUPAC: benzyl N-[(2S)-1-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate.
Chemical Property Profile of Dihydroisoxazole, 1h
Property Insights of Dihydroisoxazole, 1h
The XLogP value of 3.5 indicates that Dihydroisoxazole, 1h 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 Dihydroisoxazole, 1h. Following Lipinski's Rule of Five, Dihydroisoxazole, 1h 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 Dihydroisoxazole, 1h?
The CAS number of Dihydroisoxazole, 1h is 744198-09-2.
What is the molecular formula of Dihydroisoxazole, 1h?
The molecular formula of Dihydroisoxazole, 1h is C21H22BrN3O4.
What is the molecular weight of Dihydroisoxazole, 1h?
The molecular weight of Dihydroisoxazole, 1h is 459.08 g/mol.
Where can I buy Dihydroisoxazole, 1h?
You can request a quote for Dihydroisoxazole, 1h directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydroisoxazole, 1h?
Yes, KEHONG BIO provides custom synthesis services for Dihydroisoxazole, 1h and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.