3,5-Dihydroxy-4-phenylisoxazole hemihydrate
TL;DR: 3,5-Dihydroxy-4-phenylisoxazole hemihydrate (CAS 175278-61-2) is a chemical compound with molecular formula C18H16N2O7 and molecular weight 372.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(5-hydroxy-4-phenyl-1,2-oxazol-3-one);hydrate
Also Known As: 3,5-DIHYDROXY-4-PHENYLISOXAZOLE HEMIHYDRATE, 5-hydroxy-4-phenyl-1,2-oxazol-3-one;hydrate, 5-hydroxy-4-phenyl-1,2-oxazol-3-one Hydrate, bis(4-phenyl-1,2-oxazole-3,5-diol) hydrate, 3-Hydroxy-4-phenyl-5(2H)-isoxazolone hemihydrate
| Molecular Formula | C18H16N2O7 |
|---|---|
| Molecular Weight | 372.10 g/mol |
| LogP | 1.8563 |
| Topological Polar Surface Area | 163.96 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 372.09576 |
| Heavy Atoms | 27 |
| Complexity | 1002.203 |
Chemical Identifiers
| CAS Number | 175278-61-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(ONC2=O)O.C1=CC=C(C=C1)C2=C(ONC2=O)O.O |
Product Overview
3,5-Dihydroxy-4-phenylisoxazole hemihydrate (CAS 175278-61-2), with molecular formula C18H16N2O7 and molecular weight 372.10 g/mol. IUPAC: bis(5-hydroxy-4-phenyl-1,2-oxazol-3-one);hydrate.
Chemical Property Profile of 3,5-Dihydroxy-4-phenylisoxazole hemihydrate
Property Insights of 3,5-Dihydroxy-4-phenylisoxazole hemihydrate
The XLogP value of 1.8563 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dihydroxy-4-phenylisoxazole hemihydrate. The TPSA of 163.96 Ų indicates high polarity, suggesting 3,5-Dihydroxy-4-phenylisoxazole hemihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,5-Dihydroxy-4-phenylisoxazole hemihydrate has 4 hydrogen bond donor(s) and 6 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 3,5-Dihydroxy-4-phenylisoxazole hemihydrate?
The CAS number of 3,5-Dihydroxy-4-phenylisoxazole hemihydrate is 175278-61-2.
What is the molecular formula of 3,5-Dihydroxy-4-phenylisoxazole hemihydrate?
The molecular formula of 3,5-Dihydroxy-4-phenylisoxazole hemihydrate is C18H16N2O7.
What is the molecular weight of 3,5-Dihydroxy-4-phenylisoxazole hemihydrate?
The molecular weight of 3,5-Dihydroxy-4-phenylisoxazole hemihydrate is 372.10 g/mol.
Where can I buy 3,5-Dihydroxy-4-phenylisoxazole hemihydrate?
You can request a quote for 3,5-Dihydroxy-4-phenylisoxazole hemihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dihydroxy-4-phenylisoxazole hemihydrate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dihydroxy-4-phenylisoxazole hemihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.