(3-Chloro-4,5-dihydroisoxazol-5-yl)-methanol
TL;DR: (3-Chloro-4,5-dihydroisoxazol-5-yl)-methanol (CAS 121596-70-1) is a chemical compound with molecular formula C4H6ClNO2 and molecular weight 135.00871 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)methanol
Also Known As: 3-chloro-5-(hydroxymethyl)-2-isoxazoline, (3-Chloro-4,5-dihydro-5-isoxazolyl)methanol, (3-Chloro-4,5-dihydroisoxazol-5-yl)-methanol, (3-Chloro-4,5-dihydro-5-isoxazolyl)methanol #, (3-chloro-4,5-dihydro-1,2-oxazol-5-yl)methanol
Technical Specifications
| Molecular Formula | C4H6ClNO2 |
| Molecular Weight | 135.00871 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 41.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 135.00871 Da |
| Heavy Atoms | 8 |
| Complexity | 115.0 |
| SMILES | C1C(ON=C1Cl)CO |
| InChIKey | QSZPTCDHGPHLKQ-UHFFFAOYSA-N |
Chemical Property Profile of (3-Chloro-4,5-dihydroisoxazol-5-yl)-methanol
Property Insights of (3-Chloro-4,5-dihydroisoxazol-5-yl)-methanol
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Chloro-4,5-dihydroisoxazol-5-yl)-methanol. With a topological polar surface area (TPSA) of 41.8 Ų, (3-Chloro-4,5-dihydroisoxazol-5-yl)-methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Chloro-4,5-dihydroisoxazol-5-yl)-methanol 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
What is the CAS number of (3-Chloro-4,5-dihydroisoxazol-5-yl)-methanol?
The CAS number of (3-Chloro-4,5-dihydroisoxazol-5-yl)-methanol is 121596-70-1.
What is the molecular formula of (3-Chloro-4,5-dihydroisoxazol-5-yl)-methanol?
The molecular formula of (3-Chloro-4,5-dihydroisoxazol-5-yl)-methanol is C4H6ClNO2.
What is the molecular weight of (3-Chloro-4,5-dihydroisoxazol-5-yl)-methanol?
The molecular weight of (3-Chloro-4,5-dihydroisoxazol-5-yl)-methanol is 135.00871 g/mol.
Where can I buy (3-Chloro-4,5-dihydroisoxazol-5-yl)-methanol?
You can request a quote for (3-Chloro-4,5-dihydroisoxazol-5-yl)-methanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3-Chloro-4,5-dihydroisoxazol-5-yl)-methanol?
Yes, CoreyChem provides custom synthesis services for (3-Chloro-4,5-dihydroisoxazol-5-yl)-methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.