7-Methoxy-N,alpha-dimethyl-1,3-benzodioxole-5-ethanamine
TL;DR: 7-Methoxy-N,alpha-dimethyl-1,3-benzodioxole-5-ethanamine (CAS 172518-52-4) is a chemical compound with molecular formula C12H17NO3 and molecular weight 223.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(7-methoxy-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
Also Known As: 5-Meo-mdma, MMDMA, MMDMA (hydrochloride), 5-methoxy-3,4-methylenedioxymethamphetamine, 3-Methoxy-4,5-methylenedioxy-N-methylamphetamine
| Molecular Formula | C12H17NO3 |
|---|---|
| Molecular Weight | 223.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 39.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.12085 |
| Heavy Atoms | 16 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 172518-52-4 |
|---|---|
| SMILES | CC(CC1=CC2=C(C(=C1)OC)OCO2)NC |
| InChIKey | XEULPLUJSUSGMX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Methoxy-N,alpha-dimethyl-1,3-benzodioxole-5-ethanamine (CAS 172518-52-4), with molecular formula C12H17NO3 and molecular weight 223.12 g/mol. IUPAC: 1-(7-methoxy-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine.
Chemical Property Profile of 7-Methoxy-N,alpha-dimethyl-1,3-benzodioxole-5-ethanamine
Property Insights of 7-Methoxy-N,alpha-dimethyl-1,3-benzodioxole-5-ethanamine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methoxy-N,alpha-dimethyl-1,3-benzodioxole-5-ethanamine. With a topological polar surface area (TPSA) of 39.7 Ų, 7-Methoxy-N,alpha-dimethyl-1,3-benzodioxole-5-ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Methoxy-N,alpha-dimethyl-1,3-benzodioxole-5-ethanamine has 1 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 7-Methoxy-N,alpha-dimethyl-1,3-benzodioxole-5-ethanamine?
The CAS number of 7-Methoxy-N,alpha-dimethyl-1,3-benzodioxole-5-ethanamine is 172518-52-4.
What is the molecular formula of 7-Methoxy-N,alpha-dimethyl-1,3-benzodioxole-5-ethanamine?
The molecular formula of 7-Methoxy-N,alpha-dimethyl-1,3-benzodioxole-5-ethanamine is C12H17NO3.
What is the molecular weight of 7-Methoxy-N,alpha-dimethyl-1,3-benzodioxole-5-ethanamine?
The molecular weight of 7-Methoxy-N,alpha-dimethyl-1,3-benzodioxole-5-ethanamine is 223.12 g/mol.
Where can I buy 7-Methoxy-N,alpha-dimethyl-1,3-benzodioxole-5-ethanamine?
You can request a quote for 7-Methoxy-N,alpha-dimethyl-1,3-benzodioxole-5-ethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methoxy-N,alpha-dimethyl-1,3-benzodioxole-5-ethanamine?
Yes, KEHONG BIO provides custom synthesis services for 7-Methoxy-N,alpha-dimethyl-1,3-benzodioxole-5-ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.