![3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,1,1-trifluoro-2-propanol structure](/static/products/866/866135-64-0.png)
3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,1,1-trifluoro-2-propanol
TL;DR: 3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,1,1-trifluoro-2-propanol (CAS 866135-64-0) is a chemical compound with molecular formula C15H19F3N2O3 and molecular weight 332.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1,1,1-trifluoropropan-2-ol
Also Known As: MixCom4_000171, Maybridge2_000761, 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-1,1,1-trifluoro-2-propanol, IDI1_001915, 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1,1,1-trifluoropropan-2-ol
| Molecular Formula | C15H19F3N2O3 |
|---|---|
| Molecular Weight | 332.13 g/mol |
| LogP | 1.4561 |
| Topological Polar Surface Area | 45.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.13477 |
| Heavy Atoms | 23 |
| Complexity | 545.2589 |
Chemical Identifiers
| CAS Number | 866135-64-0 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(C(F)(F)F)O |
Product Overview
3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,1,1-trifluoro-2-propanol (CAS 866135-64-0), with molecular formula C15H19F3N2O3 and molecular weight 332.13 g/mol. IUPAC: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1,1,1-trifluoropropan-2-ol.
Chemical Property Profile of 3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,1,1-trifluoro-2-propanol
Property Insights of 3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,1,1-trifluoro-2-propanol
The XLogP value of 1.4561 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,1,1-trifluoro-2-propanol. With a topological polar surface area (TPSA) of 45.17 Ų, 3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,1,1-trifluoro-2-propanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,1,1-trifluoro-2-propanol 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-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,1,1-trifluoro-2-propanol?
The CAS number of 3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,1,1-trifluoro-2-propanol is 866135-64-0.
What is the molecular formula of 3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,1,1-trifluoro-2-propanol?
The molecular formula of 3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,1,1-trifluoro-2-propanol is C15H19F3N2O3.
What is the molecular weight of 3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,1,1-trifluoro-2-propanol?
The molecular weight of 3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,1,1-trifluoro-2-propanol is 332.13 g/mol.
Where can I buy 3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,1,1-trifluoro-2-propanol?
You can request a quote for 3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,1,1-trifluoro-2-propanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,1,1-trifluoro-2-propanol?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,1,1-trifluoro-2-propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.