3-(Benzyloxy)isoxazole-5-carbaldehyde
TL;DR: 3-(Benzyloxy)isoxazole-5-carbaldehyde (CAS 2552-53-6) is a chemical compound with molecular formula C11H9NO3 and molecular weight 203.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylmethoxy-1,2-oxazole-5-carbaldehyde
Also Known As: 3-(benzyloxy)isoxazole-5-carbaldehyde, 1,2-Dianilinoethane, 3-phenylmethoxy-1,2-oxazole-5-carbaldehyde, 3-(BENZYLOXY)-1,2-OXAZOLE-5-CARBALDEHYDE, 3-benzyloxyisoxazole-5-carbaldehyde
| Molecular Formula | C11H9NO3 |
|---|---|
| Molecular Weight | 203.06 g/mol |
| LogP | 2.0661 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 203.05824 |
| Heavy Atoms | 15 |
| Complexity | 436.10352 |
Chemical Identifiers
| CAS Number | 2552-53-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=NOC(=C2)C=O |
Product Overview
3-(Benzyloxy)isoxazole-5-carbaldehyde (CAS 2552-53-6), with molecular formula C11H9NO3 and molecular weight 203.06 g/mol. IUPAC: 3-phenylmethoxy-1,2-oxazole-5-carbaldehyde.
Chemical Property Profile of 3-(Benzyloxy)isoxazole-5-carbaldehyde
Property Insights of 3-(Benzyloxy)isoxazole-5-carbaldehyde
The XLogP value of 2.0661 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Benzyloxy)isoxazole-5-carbaldehyde. With a topological polar surface area (TPSA) of 52.33 Ų, 3-(Benzyloxy)isoxazole-5-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Benzyloxy)isoxazole-5-carbaldehyde 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 3-(Benzyloxy)isoxazole-5-carbaldehyde?
The CAS number of 3-(Benzyloxy)isoxazole-5-carbaldehyde is 2552-53-6.
What is the molecular formula of 3-(Benzyloxy)isoxazole-5-carbaldehyde?
The molecular formula of 3-(Benzyloxy)isoxazole-5-carbaldehyde is C11H9NO3.
What is the molecular weight of 3-(Benzyloxy)isoxazole-5-carbaldehyde?
The molecular weight of 3-(Benzyloxy)isoxazole-5-carbaldehyde is 203.06 g/mol.
Where can I buy 3-(Benzyloxy)isoxazole-5-carbaldehyde?
You can request a quote for 3-(Benzyloxy)isoxazole-5-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Benzyloxy)isoxazole-5-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-(Benzyloxy)isoxazole-5-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.