3(2H)-benzoxazolecarboxaldehyde, 6-methoxy-2-oxo-
TL;DR: 3(2H)-benzoxazolecarboxaldehyde, 6-methoxy-2-oxo- (CAS 247168-70-3) is a chemical compound with molecular formula C9H7NO4 and molecular weight 193.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-2-oxo-1,3-benzoxazole-3-carbaldehyde
Also Known As: 3-Formyl-6-methoxybenzoxazole-2(3H)-one, J1.165.067H, 3(2H)-benzoxazolecarboxaldehyde, 6-methoxy-2-oxo-, 2,4-dihydroxy-6-methoxybenzoxazolin-2(3H)-one, 6-methoxy-2-oxo-1,3-benzoxazole-3-carbaldehyde
| Molecular Formula | C9H7NO4 |
|---|---|
| Molecular Weight | 193.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.0375 |
| Heavy Atoms | 14 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 247168-70-3 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)N(C(=O)O2)C=O |
| InChIKey | QMUUFAPGPDIPDJ-UHFFFAOYSA-N |
Product Overview
3(2H)-benzoxazolecarboxaldehyde, 6-methoxy-2-oxo- (CAS 247168-70-3), with molecular formula C9H7NO4 and molecular weight 193.04 g/mol. IUPAC: 6-methoxy-2-oxo-1,3-benzoxazole-3-carbaldehyde.
Chemical Property Profile of 3(2H)-benzoxazolecarboxaldehyde, 6-methoxy-2-oxo-
Property Insights of 3(2H)-benzoxazolecarboxaldehyde, 6-methoxy-2-oxo-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3(2H)-benzoxazolecarboxaldehyde, 6-methoxy-2-oxo-. With a topological polar surface area (TPSA) of 55.8 Ų, 3(2H)-benzoxazolecarboxaldehyde, 6-methoxy-2-oxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3(2H)-benzoxazolecarboxaldehyde, 6-methoxy-2-oxo- 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(2H)-benzoxazolecarboxaldehyde, 6-methoxy-2-oxo-?
The CAS number of 3(2H)-benzoxazolecarboxaldehyde, 6-methoxy-2-oxo- is 247168-70-3.
What is the molecular formula of 3(2H)-benzoxazolecarboxaldehyde, 6-methoxy-2-oxo-?
The molecular formula of 3(2H)-benzoxazolecarboxaldehyde, 6-methoxy-2-oxo- is C9H7NO4.
What is the molecular weight of 3(2H)-benzoxazolecarboxaldehyde, 6-methoxy-2-oxo-?
The molecular weight of 3(2H)-benzoxazolecarboxaldehyde, 6-methoxy-2-oxo- is 193.04 g/mol.
Where can I buy 3(2H)-benzoxazolecarboxaldehyde, 6-methoxy-2-oxo-?
You can request a quote for 3(2H)-benzoxazolecarboxaldehyde, 6-methoxy-2-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3(2H)-benzoxazolecarboxaldehyde, 6-methoxy-2-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 3(2H)-benzoxazolecarboxaldehyde, 6-methoxy-2-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.