Dioxadilol
TL;DR: Dioxadilol (CAS 80743-08-4) is a chemical compound with molecular formula C16H25NO4 and molecular weight 295.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(tert-butylamino)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)propan-2-ol
Also Known As: Dioxadilol, dioxadilolum, Dioxadilol [INN], 4-Iodo[2,1,3]benzothiadiazole, 1,4-Benzodioxin, 2-propanol deriv.
| Molecular Formula | C16H25NO4 |
|---|---|
| Molecular Weight | 295.18 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 60.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 295.17834 |
| Heavy Atoms | 21 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 80743-08-4 |
|---|---|
| SMILES | CC(C)(C)NCC(COCC1COC2=CC=CC=C2O1)O |
| InChIKey | ZJWWWCZRROHPDH-UHFFFAOYSA-N |
Product Overview
Dioxadilol (CAS 80743-08-4), with molecular formula C16H25NO4 and molecular weight 295.18 g/mol. IUPAC: 1-(tert-butylamino)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)propan-2-ol.
Chemical Property Profile of Dioxadilol
Property Insights of Dioxadilol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dioxadilol. The TPSA of 60.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dioxadilol. Following Lipinski's Rule of Five, Dioxadilol has 2 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 Dioxadilol?
The CAS number of Dioxadilol is 80743-08-4.
What is the molecular formula of Dioxadilol?
The molecular formula of Dioxadilol is C16H25NO4.
What is the molecular weight of Dioxadilol?
The molecular weight of Dioxadilol is 295.18 g/mol.
Where can I buy Dioxadilol?
You can request a quote for Dioxadilol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dioxadilol?
Yes, KEHONG BIO provides custom synthesis services for Dioxadilol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.