1,3-Benzodioxole-5-methanamine, alpha-(2-phenylethyl)-, hydrochloride
TL;DR: 1,3-Benzodioxole-5-methanamine, alpha-(2-phenylethyl)-, hydrochloride (CAS 126520-99-8) is a chemical compound with molecular formula C16H18ClNO2 and molecular weight 291.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-2-phenylpropan-1-amine;hydrochloride
Also Known As: 1,3-Benzodioxole-5-propanamine, beta-phenyl-, hydrochloride, 1,3-Benzodioxole-5-methanamine, alpha-(2-phenylethyl)-, hydrochloride, alpha-(2-Phenylethyl)-1,3-benzodioxole-5-methanamine hydrochloride, 3-(1,3-benzodioxol-5-yl)-2-phenylpropan-1-amine hydrochloride, 3-(2H-1,3-Benzodioxol-5-yl)-2-phenylpropan-1-amine--hydrogen chloride (1/1)
| Molecular Formula | C16H18ClNO2 |
|---|---|
| Molecular Weight | 291.10 g/mol |
| LogP | 3.1221 |
| Topological Polar Surface Area | 44.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.1026 |
| Heavy Atoms | 20 |
| Complexity | 559.65826 |
Chemical Identifiers
| CAS Number | 126520-99-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CC(CN)C3=CC=CC=C3.Cl |
Product Overview
1,3-Benzodioxole-5-methanamine, alpha-(2-phenylethyl)-, hydrochloride (CAS 126520-99-8), with molecular formula C16H18ClNO2 and molecular weight 291.10 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-2-phenylpropan-1-amine;hydrochloride.
Chemical Property Profile of 1,3-Benzodioxole-5-methanamine, alpha-(2-phenylethyl)-, hydrochloride
Property Insights of 1,3-Benzodioxole-5-methanamine, alpha-(2-phenylethyl)-, hydrochloride
The XLogP value of 3.1221 indicates that 1,3-Benzodioxole-5-methanamine, alpha-(2-phenylethyl)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.48 Ų, 1,3-Benzodioxole-5-methanamine, alpha-(2-phenylethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole-5-methanamine, alpha-(2-phenylethyl)-, hydrochloride has 1 hydrogen bond donor(s) and 3 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 1,3-Benzodioxole-5-methanamine, alpha-(2-phenylethyl)-, hydrochloride?
The CAS number of 1,3-Benzodioxole-5-methanamine, alpha-(2-phenylethyl)-, hydrochloride is 126520-99-8.
What is the molecular formula of 1,3-Benzodioxole-5-methanamine, alpha-(2-phenylethyl)-, hydrochloride?
The molecular formula of 1,3-Benzodioxole-5-methanamine, alpha-(2-phenylethyl)-, hydrochloride is C16H18ClNO2.
What is the molecular weight of 1,3-Benzodioxole-5-methanamine, alpha-(2-phenylethyl)-, hydrochloride?
The molecular weight of 1,3-Benzodioxole-5-methanamine, alpha-(2-phenylethyl)-, hydrochloride is 291.10 g/mol.
Where can I buy 1,3-Benzodioxole-5-methanamine, alpha-(2-phenylethyl)-, hydrochloride?
You can request a quote for 1,3-Benzodioxole-5-methanamine, alpha-(2-phenylethyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole-5-methanamine, alpha-(2-phenylethyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole-5-methanamine, alpha-(2-phenylethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.