3-(1,3-Benzodioxol-5-yl)-5-isoxazolemethanol
TL;DR: 3-(1,3-Benzodioxol-5-yl)-5-isoxazolemethanol (CAS 438565-34-5) is a chemical compound with molecular formula C11H9NO4 and molecular weight 219.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methanol
Also Known As: (3-BENZO[1,3]DIOXOL-5-YL-ISOXAZOL-5-YL)-METHANOL, (3-(BENZO[D][1,3]DIOXOL-5-YL)ISOXAZOL-5-YL)METHANOL, ZERO/005914, [3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methanol, [3-(1,3-Benzodioxol-5-yl)-5-isoxazolyl]methanol
| Molecular Formula | C11H9NO4 |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | 1.5626 |
| Topological Polar Surface Area | 64.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.05316 |
| Heavy Atoms | 16 |
| Complexity | 520.4532 |
Chemical Identifiers
| CAS Number | 438565-34-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NOC(=C3)CO |
Product Overview
3-(1,3-Benzodioxol-5-yl)-5-isoxazolemethanol (CAS 438565-34-5), with molecular formula C11H9NO4 and molecular weight 219.05 g/mol. IUPAC: [3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methanol.
Chemical Property Profile of 3-(1,3-Benzodioxol-5-yl)-5-isoxazolemethanol
Property Insights of 3-(1,3-Benzodioxol-5-yl)-5-isoxazolemethanol
The XLogP value of 1.5626 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-Benzodioxol-5-yl)-5-isoxazolemethanol. The TPSA of 64.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-Benzodioxol-5-yl)-5-isoxazolemethanol. Following Lipinski's Rule of Five, 3-(1,3-Benzodioxol-5-yl)-5-isoxazolemethanol has 1 hydrogen bond donor(s) and 5 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-(1,3-Benzodioxol-5-yl)-5-isoxazolemethanol?
The CAS number of 3-(1,3-Benzodioxol-5-yl)-5-isoxazolemethanol is 438565-34-5.
What is the molecular formula of 3-(1,3-Benzodioxol-5-yl)-5-isoxazolemethanol?
The molecular formula of 3-(1,3-Benzodioxol-5-yl)-5-isoxazolemethanol is C11H9NO4.
What is the molecular weight of 3-(1,3-Benzodioxol-5-yl)-5-isoxazolemethanol?
The molecular weight of 3-(1,3-Benzodioxol-5-yl)-5-isoxazolemethanol is 219.05 g/mol.
Where can I buy 3-(1,3-Benzodioxol-5-yl)-5-isoxazolemethanol?
You can request a quote for 3-(1,3-Benzodioxol-5-yl)-5-isoxazolemethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-Benzodioxol-5-yl)-5-isoxazolemethanol?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzodioxol-5-yl)-5-isoxazolemethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.