Halfordine
TL;DR: Halfordine (CAS 21059-65-4) is a chemical compound with molecular formula C19H20N2O4 and molecular weight 340.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-[4-(2-pyridin-3-yl-1,3-oxazol-4-yl)phenoxy]butane-2,3-diol
Also Known As: Halfordine, Halfordine[alkaloid], 2,3-Butanediol, 3-methyl-1-[4-[2-(3-pyridinyl)-4-oxazolyl]phenoxy]-, 3-METHYL-1-{4-[2-(PYRIDIN-3-YL)-1,3-OXAZOL-4-YL]PHENOXY}BUTANE-2,3-DIOL, 2,3-Butanediol, 3-methyl-1-(4-(2-(3-pyridinyl)-4-oxazolyl)phenoxy)-
| Molecular Formula | C19H20N2O4 |
|---|---|
| Molecular Weight | 340.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.1423 |
| Heavy Atoms | 25 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 21059-65-4 |
|---|---|
| SMILES | CC(C)(C(COC1=CC=C(C=C1)C2=COC(=N2)C3=CN=CC=C3)O)O |
| InChIKey | USNQTVHRQCVEFD-UHFFFAOYSA-N |
Product Overview
Halfordine (CAS 21059-65-4), with molecular formula C19H20N2O4 and molecular weight 340.14 g/mol. IUPAC: 3-methyl-1-[4-(2-pyridin-3-yl-1,3-oxazol-4-yl)phenoxy]butane-2,3-diol.
Chemical Property Profile of Halfordine
Property Insights of Halfordine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Halfordine. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Halfordine. Following Lipinski's Rule of Five, Halfordine has 2 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 Halfordine?
The CAS number of Halfordine is 21059-65-4.
What is the molecular formula of Halfordine?
The molecular formula of Halfordine is C19H20N2O4.
What is the molecular weight of Halfordine?
The molecular weight of Halfordine is 340.14 g/mol.
Where can I buy Halfordine?
You can request a quote for Halfordine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Halfordine?
Yes, KEHONG BIO provides custom synthesis services for Halfordine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.