2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carbaldehyde
TL;DR: 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carbaldehyde (CAS 55366-25-1) is a chemical compound with molecular formula C8H5NO3 and molecular weight 163.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-3H-1,3-benzoxazole-6-carbaldehyde
Also Known As: 2-Oxo-2,3-dihydrobenzo[d]oxazole-6-carbaldehyde, 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carbaldehyde, 2-oxo-3H-1,3-benzoxazole-6-carbaldehyde, 5-Benzoxazolecarboxaldehyde, 2,3-dihydro-2-oxo-, 2,3-Dihydro-2-oxo-5-benzoxazolecarboxaldehyde
| Molecular Formula | C8H5NO3 |
|---|---|
| Molecular Weight | 163.03 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.02695 |
| Heavy Atoms | 12 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 55366-25-1 |
|---|---|
| SMILES | C1=CC2=C(C=C1C=O)OC(=O)N2 |
| InChIKey | IMJHZVCEOBDHMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carbaldehyde (CAS 55366-25-1), with molecular formula C8H5NO3 and molecular weight 163.03 g/mol. IUPAC: 2-oxo-3H-1,3-benzoxazole-6-carbaldehyde.
Chemical Property Profile of 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carbaldehyde
Property Insights of 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carbaldehyde
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carbaldehyde. With a topological polar surface area (TPSA) of 55.4 Ų, 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carbaldehyde 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 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carbaldehyde?
The CAS number of 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carbaldehyde is 55366-25-1.
What is the molecular formula of 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carbaldehyde?
The molecular formula of 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carbaldehyde is C8H5NO3.
What is the molecular weight of 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carbaldehyde?
The molecular weight of 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carbaldehyde is 163.03 g/mol.
Where can I buy 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carbaldehyde?
You can request a quote for 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.