Rasagiline Impurity 46
TL;DR: Rasagiline Impurity 46 (CAS 780702-61-6) is a chemical compound with molecular formula C13H13N and molecular weight 183.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-N-prop-2-ynyl-1H-inden-1-amine
Also Known As: Rasagiline Impurity 46, N-methyl-N-prop-2-ynyl-1H-inden-1-amine, N-methyl-N-(prop-2-yn-1-yl)-1H-inden-1-amine
| Molecular Formula | C13H13N |
|---|---|
| Molecular Weight | 183.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.1048 |
| Heavy Atoms | 14 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 780702-61-6 |
|---|---|
| SMILES | CN(CC#C)C1C=CC2=CC=CC=C12 |
| InChIKey | YYVSEWAFYXXHPE-UHFFFAOYSA-N |
Product Overview
Rasagiline Impurity 46 (CAS 780702-61-6), with molecular formula C13H13N and molecular weight 183.10 g/mol. IUPAC: N-methyl-N-prop-2-ynyl-1H-inden-1-amine.
Chemical Property Profile of Rasagiline Impurity 46
Property Insights of Rasagiline Impurity 46
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rasagiline Impurity 46. With a topological polar surface area (TPSA) of 3.2 Ų, Rasagiline Impurity 46 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Rasagiline Impurity 46 has 0 hydrogen bond donor(s) and 1 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 Rasagiline Impurity 46?
The CAS number of Rasagiline Impurity 46 is 780702-61-6.
What is the molecular formula of Rasagiline Impurity 46?
The molecular formula of Rasagiline Impurity 46 is C13H13N.
What is the molecular weight of Rasagiline Impurity 46?
The molecular weight of Rasagiline Impurity 46 is 183.10 g/mol.
Where can I buy Rasagiline Impurity 46?
You can request a quote for Rasagiline Impurity 46 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rasagiline Impurity 46?
Yes, KEHONG BIO provides custom synthesis services for Rasagiline Impurity 46 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.