5-Trichloromethyl-4,5-dihydro-5-isoxazolol
TL;DR: 5-Trichloromethyl-4,5-dihydro-5-isoxazolol (CAS 34648-36-7) is a chemical compound with molecular formula C4H4Cl3NO2 and molecular weight 202.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(trichloromethyl)-4H-1,2-oxazol-5-ol
Also Known As: 5-(trichloromethyl)-4,5-dihydroisoxazol-5-ol, 5-(trichloromethyl)-4H-1,2-oxazol-5-ol, 5-(Trichloromethyl)-4H-isoxazol-5-ol, 5-Trichloromethyl-2-isoxazolin-5-ol, 5-isoxazolol, 4,5-dihydro-5-(trichloromethyl)-
| Molecular Formula | C4H4Cl3NO2 |
|---|---|
| Molecular Weight | 202.93 g/mol |
| LogP | 1.4513 |
| Topological Polar Surface Area | 41.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 202.93076 |
| Heavy Atoms | 10 |
| Complexity | 156.37587 |
Chemical Identifiers
| CAS Number | 34648-36-7 |
|---|---|
| SMILES | C1C=NOC1(C(Cl)(Cl)Cl)O |
Product Overview
5-Trichloromethyl-4,5-dihydro-5-isoxazolol (CAS 34648-36-7), with molecular formula C4H4Cl3NO2 and molecular weight 202.93 g/mol. IUPAC: 5-(trichloromethyl)-4H-1,2-oxazol-5-ol.
Chemical Property Profile of 5-Trichloromethyl-4,5-dihydro-5-isoxazolol
Property Insights of 5-Trichloromethyl-4,5-dihydro-5-isoxazolol
The XLogP value of 1.4513 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Trichloromethyl-4,5-dihydro-5-isoxazolol. With a topological polar surface area (TPSA) of 41.82 Ų, 5-Trichloromethyl-4,5-dihydro-5-isoxazolol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Trichloromethyl-4,5-dihydro-5-isoxazolol 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 5-Trichloromethyl-4,5-dihydro-5-isoxazolol?
The CAS number of 5-Trichloromethyl-4,5-dihydro-5-isoxazolol is 34648-36-7.
What is the molecular formula of 5-Trichloromethyl-4,5-dihydro-5-isoxazolol?
The molecular formula of 5-Trichloromethyl-4,5-dihydro-5-isoxazolol is C4H4Cl3NO2.
What is the molecular weight of 5-Trichloromethyl-4,5-dihydro-5-isoxazolol?
The molecular weight of 5-Trichloromethyl-4,5-dihydro-5-isoxazolol is 202.93 g/mol.
Where can I buy 5-Trichloromethyl-4,5-dihydro-5-isoxazolol?
You can request a quote for 5-Trichloromethyl-4,5-dihydro-5-isoxazolol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Trichloromethyl-4,5-dihydro-5-isoxazolol?
Yes, KEHONG BIO provides custom synthesis services for 5-Trichloromethyl-4,5-dihydro-5-isoxazolol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.