5-Diethoxymethyl-3-isoxazolol
TL;DR: 5-Diethoxymethyl-3-isoxazolol (CAS 5777-18-4) is a chemical compound with molecular formula C8H13NO4 and molecular weight 187.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(diethoxymethyl)-1,2-oxazol-3-one
Also Known As: 5-Diethoxymethyl-3-isoxazolol, 5-(Diethoxymethyl)isoxazole-3-ol, 5-(diethoxymethyl)-1,2-oxazol-3-ol, 5-(diethoxymethyl)-1,2-oxazol-3-one, 5-(Diethoxymethyl)-3(2H)-isoxazolone
| Molecular Formula | C8H13NO4 |
|---|---|
| Molecular Weight | 187.08 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 187.08446 |
| Heavy Atoms | 13 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 5777-18-4 |
|---|---|
| SMILES | CCOC(C1=CC(=O)NO1)OCC |
| InChIKey | LTBAGKFPRMPHKH-UHFFFAOYSA-N |
Product Overview
5-Diethoxymethyl-3-isoxazolol (CAS 5777-18-4), with molecular formula C8H13NO4 and molecular weight 187.08 g/mol. IUPAC: 5-(diethoxymethyl)-1,2-oxazol-3-one.
Chemical Property Profile of 5-Diethoxymethyl-3-isoxazolol
Property Insights of 5-Diethoxymethyl-3-isoxazolol
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Diethoxymethyl-3-isoxazolol. With a topological polar surface area (TPSA) of 56.8 Ų, 5-Diethoxymethyl-3-isoxazolol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Diethoxymethyl-3-isoxazolol has 1 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 5-Diethoxymethyl-3-isoxazolol?
The CAS number of 5-Diethoxymethyl-3-isoxazolol is 5777-18-4.
What is the molecular formula of 5-Diethoxymethyl-3-isoxazolol?
The molecular formula of 5-Diethoxymethyl-3-isoxazolol is C8H13NO4.
What is the molecular weight of 5-Diethoxymethyl-3-isoxazolol?
The molecular weight of 5-Diethoxymethyl-3-isoxazolol is 187.08 g/mol.
Where can I buy 5-Diethoxymethyl-3-isoxazolol?
You can request a quote for 5-Diethoxymethyl-3-isoxazolol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Diethoxymethyl-3-isoxazolol?
Yes, KEHONG BIO provides custom synthesis services for 5-Diethoxymethyl-3-isoxazolol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.