(3-tert-Butyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonic acid
TL;DR: (3-tert-Butyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonic acid (CAS 125674-52-4) is a chemical compound with molecular formula C7H14NO4P and molecular weight 207.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-tert-butyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonic acid
Also Known As: 3-tert-Butyl-2-isoxazolin-5-ylphosphonic acid, (3-(1,1-Dimethylethyl)-4,5-dihydro-5-isoxazolyl)phosphonic acid, 3-tert.butyl-2-isoxazolin-5-ylphosphonic acid, (3-tert-butyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonic acid, Phosphonic acid, (3-(1,1-dimethylethyl)-4,5-dihydro-5-isoxazolyl)-
| Molecular Formula | C7H14NO4P |
|---|---|
| Molecular Weight | 207.07 g/mol |
| LogP | 1.3126 |
| Topological Polar Surface Area | 79.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.06604 |
| Heavy Atoms | 13 |
| Complexity | 274.70737 |
Chemical Identifiers
| CAS Number | 125674-52-4 |
|---|---|
| SMILES | CC(C)(C)C1=NOC(C1)P(=O)(O)O |
Product Overview
(3-tert-Butyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonic acid (CAS 125674-52-4), with molecular formula C7H14NO4P and molecular weight 207.07 g/mol. IUPAC: (3-tert-butyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonic acid.
Chemical Property Profile of (3-tert-Butyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonic acid
Property Insights of (3-tert-Butyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonic acid
The XLogP value of 1.3126 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-tert-Butyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonic acid. The TPSA of 79.12 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-tert-Butyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonic acid. Following Lipinski's Rule of Five, (3-tert-Butyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonic acid has 2 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 (3-tert-Butyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonic acid?
The CAS number of (3-tert-Butyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonic acid is 125674-52-4.
What is the molecular formula of (3-tert-Butyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonic acid?
The molecular formula of (3-tert-Butyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonic acid is C7H14NO4P.
What is the molecular weight of (3-tert-Butyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonic acid?
The molecular weight of (3-tert-Butyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonic acid is 207.07 g/mol.
Where can I buy (3-tert-Butyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonic acid?
You can request a quote for (3-tert-Butyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-tert-Butyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonic acid?
Yes, KEHONG BIO provides custom synthesis services for (3-tert-Butyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.