Isoxazole, 3-chloro-4,5-dihydro-5-phenyl-
TL;DR: Isoxazole, 3-chloro-4,5-dihydro-5-phenyl- (CAS 62056-52-4) is a chemical compound with molecular formula C9H8ClNO and molecular weight 181.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-5-phenyl-4,5-dihydro-1,2-oxazole
Also Known As: 5-phenyl-3-chloroisoxazoline, 3-chloro-5-phenyl-4,5-dihydro-1,2-oxazole, 3-chloro-5-phenyl-4,5-dihydroisoxazole, Isoxazole, 3-chloro-4,5-dihydro-5-phenyl-, 3-Chloro-5-phenyl-2-isoxazoline
| Molecular Formula | C9H8ClNO |
|---|---|
| Molecular Weight | 181.03 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 21.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.02943 |
| Heavy Atoms | 12 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 62056-52-4 |
|---|---|
| SMILES | C1C(ON=C1Cl)C2=CC=CC=C2 |
| InChIKey | RQKHDLVXQFONPI-UHFFFAOYSA-N |
Product Overview
Isoxazole, 3-chloro-4,5-dihydro-5-phenyl- (CAS 62056-52-4), with molecular formula C9H8ClNO and molecular weight 181.03 g/mol. IUPAC: 3-chloro-5-phenyl-4,5-dihydro-1,2-oxazole.
Chemical Property Profile of Isoxazole, 3-chloro-4,5-dihydro-5-phenyl-
Property Insights of Isoxazole, 3-chloro-4,5-dihydro-5-phenyl-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoxazole, 3-chloro-4,5-dihydro-5-phenyl-. With a topological polar surface area (TPSA) of 21.6 Ų, Isoxazole, 3-chloro-4,5-dihydro-5-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoxazole, 3-chloro-4,5-dihydro-5-phenyl- has 0 hydrogen bond donor(s) and 2 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 Isoxazole, 3-chloro-4,5-dihydro-5-phenyl-?
The CAS number of Isoxazole, 3-chloro-4,5-dihydro-5-phenyl- is 62056-52-4.
What is the molecular formula of Isoxazole, 3-chloro-4,5-dihydro-5-phenyl-?
The molecular formula of Isoxazole, 3-chloro-4,5-dihydro-5-phenyl- is C9H8ClNO.
What is the molecular weight of Isoxazole, 3-chloro-4,5-dihydro-5-phenyl-?
The molecular weight of Isoxazole, 3-chloro-4,5-dihydro-5-phenyl- is 181.03 g/mol.
Where can I buy Isoxazole, 3-chloro-4,5-dihydro-5-phenyl-?
You can request a quote for Isoxazole, 3-chloro-4,5-dihydro-5-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoxazole, 3-chloro-4,5-dihydro-5-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Isoxazole, 3-chloro-4,5-dihydro-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.