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N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylacetamide
TL;DR: N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylacetamide (CAS 181765-92-4) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylacetamide
Also Known As: N-Acetyl-MDMA, N-Methyl mda acetate, 3,4-Methylenedioxymethamphetamine-acetyl, J2.715.452B, N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylacetamide
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 181765-92-4 |
|---|---|
| SMILES | CC(CC1=CC2=C(C=C1)OCO2)N(C)C(=O)C |
| InChIKey | YETLZLXFTJYZMU-UHFFFAOYSA-N |
Product Overview
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylacetamide (CAS 181765-92-4), with molecular formula C13H17NO3 and molecular weight 235.12 g/mol. IUPAC: N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylacetamide.
Chemical Property Profile of N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylacetamide
Property Insights of N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylacetamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylacetamide. With a topological polar surface area (TPSA) of 38.8 Ų, N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylacetamide has 0 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 N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylacetamide?
The CAS number of N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylacetamide is 181765-92-4.
What is the molecular formula of N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylacetamide?
The molecular formula of N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylacetamide is C13H17NO3.
What is the molecular weight of N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylacetamide?
The molecular weight of N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylacetamide is 235.12 g/mol.
Where can I buy N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylacetamide?
You can request a quote for N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.