N-allyl-3-(3-bromophenyl)-4,5-dihydro-5-isoxazolecarboxamide
TL;DR: N-allyl-3-(3-bromophenyl)-4,5-dihydro-5-isoxazolecarboxamide (CAS 725697-15-4) is a chemical compound with molecular formula C13H13BrN2O2 and molecular weight 308.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-bromophenyl)-N-prop-2-enyl-4,5-dihydro-1,2-oxazole-5-carboxamide
Also Known As: BAS 09529059, AN-329/43211394, N-allyl-3-(3-bromophenyl)-4,5-dihydro-5-isoxazolecarboxamide, 3-(3-bromophenyl)-N-prop-2-enyl-4,5-dihydro-1,2-oxazole-5-carboxamide, [3-(3-bromophenyl)(4,5-dihydroisoxazol-5-yl)]-N-prop-2-enylcarboxamide
| Molecular Formula | C13H13BrN2O2 |
|---|---|
| Molecular Weight | 308.02 g/mol |
| LogP | 2.2443 |
| Topological Polar Surface Area | 50.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.01605 |
| Heavy Atoms | 18 |
| Complexity | 499.51953 |
Chemical Identifiers
| CAS Number | 725697-15-4 |
|---|---|
| SMILES | C=CCNC(=O)C1CC(=NO1)C2=CC(=CC=C2)Br |
Product Overview
N-allyl-3-(3-bromophenyl)-4,5-dihydro-5-isoxazolecarboxamide (CAS 725697-15-4), with molecular formula C13H13BrN2O2 and molecular weight 308.02 g/mol. IUPAC: 3-(3-bromophenyl)-N-prop-2-enyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
Chemical Property Profile of N-allyl-3-(3-bromophenyl)-4,5-dihydro-5-isoxazolecarboxamide
Property Insights of N-allyl-3-(3-bromophenyl)-4,5-dihydro-5-isoxazolecarboxamide
The XLogP value of 2.2443 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-allyl-3-(3-bromophenyl)-4,5-dihydro-5-isoxazolecarboxamide. With a topological polar surface area (TPSA) of 50.69 Ų, N-allyl-3-(3-bromophenyl)-4,5-dihydro-5-isoxazolecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-allyl-3-(3-bromophenyl)-4,5-dihydro-5-isoxazolecarboxamide has 1 hydrogen bond donor(s) and 3 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 N-allyl-3-(3-bromophenyl)-4,5-dihydro-5-isoxazolecarboxamide?
The CAS number of N-allyl-3-(3-bromophenyl)-4,5-dihydro-5-isoxazolecarboxamide is 725697-15-4.
What is the molecular formula of N-allyl-3-(3-bromophenyl)-4,5-dihydro-5-isoxazolecarboxamide?
The molecular formula of N-allyl-3-(3-bromophenyl)-4,5-dihydro-5-isoxazolecarboxamide is C13H13BrN2O2.
What is the molecular weight of N-allyl-3-(3-bromophenyl)-4,5-dihydro-5-isoxazolecarboxamide?
The molecular weight of N-allyl-3-(3-bromophenyl)-4,5-dihydro-5-isoxazolecarboxamide is 308.02 g/mol.
Where can I buy N-allyl-3-(3-bromophenyl)-4,5-dihydro-5-isoxazolecarboxamide?
You can request a quote for N-allyl-3-(3-bromophenyl)-4,5-dihydro-5-isoxazolecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-allyl-3-(3-bromophenyl)-4,5-dihydro-5-isoxazolecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-3-(3-bromophenyl)-4,5-dihydro-5-isoxazolecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.