![4-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-2,2-dimethyloxan-4-ol structure](/static/products/899/899394-79-7.png)
4-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-2,2-dimethyloxan-4-ol
TL;DR: 4-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-2,2-dimethyloxan-4-ol (CAS 899394-79-7) is a chemical compound with molecular formula C17H25NO4 and molecular weight 307.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-2,2-dimethyloxan-4-ol
Also Known As: 4-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-2,2-dimethyloxan-4-ol, 4-(2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)ethyl)-2,2-dimethyltetrahydro-2H-pyran-4-ol, 4-{2-[(1,3-benzodioxol-5-ylmethyl)amino]ethyl}-2,2-dimethyltetrahydro-2H-pyran-4-ol
| Molecular Formula | C17H25NO4 |
|---|---|
| Molecular Weight | 307.18 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 60.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.17834 |
| Heavy Atoms | 22 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 899394-79-7 |
|---|---|
| SMILES | CC1(CC(CCO1)(CCNCC2=CC3=C(C=C2)OCO3)O)C |
| InChIKey | BQDQPAZSZCXSJY-UHFFFAOYSA-N |
Product Overview
4-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-2,2-dimethyloxan-4-ol (CAS 899394-79-7), with molecular formula C17H25NO4 and molecular weight 307.18 g/mol. IUPAC: 4-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-2,2-dimethyloxan-4-ol.
Chemical Property Profile of 4-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-2,2-dimethyloxan-4-ol
Property Insights of 4-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-2,2-dimethyloxan-4-ol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-2,2-dimethyloxan-4-ol. The TPSA of 60.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-2,2-dimethyloxan-4-ol. Following Lipinski's Rule of Five, 4-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-2,2-dimethyloxan-4-ol 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 4-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-2,2-dimethyloxan-4-ol?
The CAS number of 4-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-2,2-dimethyloxan-4-ol is 899394-79-7.
What is the molecular formula of 4-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-2,2-dimethyloxan-4-ol?
The molecular formula of 4-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-2,2-dimethyloxan-4-ol is C17H25NO4.
What is the molecular weight of 4-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-2,2-dimethyloxan-4-ol?
The molecular weight of 4-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-2,2-dimethyloxan-4-ol is 307.18 g/mol.
Where can I buy 4-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-2,2-dimethyloxan-4-ol?
You can request a quote for 4-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-2,2-dimethyloxan-4-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-2,2-dimethyloxan-4-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-2,2-dimethyloxan-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.