![2-[(1,3-Benzodioxol-5-ylmethyl)amino]-1-phenylethanol structure](/static/products/827/82709-54-4.png)
2-[(1,3-Benzodioxol-5-ylmethyl)amino]-1-phenylethanol
TL;DR: 2-[(1,3-Benzodioxol-5-ylmethyl)amino]-1-phenylethanol (CAS 82709-54-4) is a chemical compound with molecular formula C16H17NO3 and molecular weight 271.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethylamino)-1-phenylethanol
Also Known As: BAS 12424045, 2-[(1,3-benzodioxol-5-ylmethyl)amino]-1-phenylethanol, 2-(1,3-benzodioxol-5-ylmethylamino)-1-phenylethanol, AN-465/42886111, 2-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-1-phenyl-ethanol
| Molecular Formula | C16H17NO3 |
|---|---|
| Molecular Weight | 271.12 g/mol |
| LogP | 2.2385 |
| Topological Polar Surface Area | 50.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.12085 |
| Heavy Atoms | 20 |
| Complexity | 571.1896 |
Chemical Identifiers
| CAS Number | 82709-54-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNCC(C3=CC=CC=C3)O |
Product Overview
2-[(1,3-Benzodioxol-5-ylmethyl)amino]-1-phenylethanol (CAS 82709-54-4), with molecular formula C16H17NO3 and molecular weight 271.12 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethylamino)-1-phenylethanol.
Chemical Property Profile of 2-[(1,3-Benzodioxol-5-ylmethyl)amino]-1-phenylethanol
Property Insights of 2-[(1,3-Benzodioxol-5-ylmethyl)amino]-1-phenylethanol
The XLogP value of 2.2385 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1,3-Benzodioxol-5-ylmethyl)amino]-1-phenylethanol. With a topological polar surface area (TPSA) of 50.72 Ų, 2-[(1,3-Benzodioxol-5-ylmethyl)amino]-1-phenylethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(1,3-Benzodioxol-5-ylmethyl)amino]-1-phenylethanol has 2 hydrogen bond donor(s) and 4 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 2-[(1,3-Benzodioxol-5-ylmethyl)amino]-1-phenylethanol?
The CAS number of 2-[(1,3-Benzodioxol-5-ylmethyl)amino]-1-phenylethanol is 82709-54-4.
What is the molecular formula of 2-[(1,3-Benzodioxol-5-ylmethyl)amino]-1-phenylethanol?
The molecular formula of 2-[(1,3-Benzodioxol-5-ylmethyl)amino]-1-phenylethanol is C16H17NO3.
What is the molecular weight of 2-[(1,3-Benzodioxol-5-ylmethyl)amino]-1-phenylethanol?
The molecular weight of 2-[(1,3-Benzodioxol-5-ylmethyl)amino]-1-phenylethanol is 271.12 g/mol.
Where can I buy 2-[(1,3-Benzodioxol-5-ylmethyl)amino]-1-phenylethanol?
You can request a quote for 2-[(1,3-Benzodioxol-5-ylmethyl)amino]-1-phenylethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1,3-Benzodioxol-5-ylmethyl)amino]-1-phenylethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1,3-Benzodioxol-5-ylmethyl)amino]-1-phenylethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.