4-Penten-2-amine, N-methyl-5-(3-pyridinyl)-, (2S,4E)-
TL;DR: 4-Penten-2-amine, N-methyl-5-(3-pyridinyl)-, (2S,4E)- (CAS 252870-46-5) is a chemical compound with molecular formula C11H16N2 and molecular weight 176.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E,2S)-N-methyl-5-pyridin-3-ylpent-4-en-2-amine
Also Known As: nAChR agonist 2, 4-Penten-2-amine, N-methyl-5-(3-pyridinyl)-, (2S,4E)-, (E,2S)-N-methyl-5-pyridin-3-ylpent-4-en-2-amine, (2S)-(4E)-N-Methyl-5-(3-pyridyl)-4-penten-2-amine, (E)-N-methyl-5-pyridin-3-yl-pent-4-en-2-amine
| Molecular Formula | C11H16N2 |
|---|---|
| Molecular Weight | 176.13 g/mol |
| LogP | 2.0928 |
| Topological Polar Surface Area | 24.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.13135 |
| Heavy Atoms | 13 |
| Complexity | 254.05261 |
Chemical Identifiers
| CAS Number | 252870-46-5 |
|---|---|
| SMILES | C[C@@H](C/C=C/C1=CN=CC=C1)NC |
Product Overview
4-Penten-2-amine, N-methyl-5-(3-pyridinyl)-, (2S,4E)- (CAS 252870-46-5), with molecular formula C11H16N2 and molecular weight 176.13 g/mol. IUPAC: (E,2S)-N-methyl-5-pyridin-3-ylpent-4-en-2-amine.
Chemical Property Profile of 4-Penten-2-amine, N-methyl-5-(3-pyridinyl)-, (2S,4E)-
Property Insights of 4-Penten-2-amine, N-methyl-5-(3-pyridinyl)-, (2S,4E)-
The XLogP value of 2.0928 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Penten-2-amine, N-methyl-5-(3-pyridinyl)-, (2S,4E)-. With a topological polar surface area (TPSA) of 24.92 Ų, 4-Penten-2-amine, N-methyl-5-(3-pyridinyl)-, (2S,4E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Penten-2-amine, N-methyl-5-(3-pyridinyl)-, (2S,4E)- has 1 hydrogen bond donor(s) and 2 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 4-Penten-2-amine, N-methyl-5-(3-pyridinyl)-, (2S,4E)-?
The CAS number of 4-Penten-2-amine, N-methyl-5-(3-pyridinyl)-, (2S,4E)- is 252870-46-5.
What is the molecular formula of 4-Penten-2-amine, N-methyl-5-(3-pyridinyl)-, (2S,4E)-?
The molecular formula of 4-Penten-2-amine, N-methyl-5-(3-pyridinyl)-, (2S,4E)- is C11H16N2.
What is the molecular weight of 4-Penten-2-amine, N-methyl-5-(3-pyridinyl)-, (2S,4E)-?
The molecular weight of 4-Penten-2-amine, N-methyl-5-(3-pyridinyl)-, (2S,4E)- is 176.13 g/mol.
Where can I buy 4-Penten-2-amine, N-methyl-5-(3-pyridinyl)-, (2S,4E)-?
You can request a quote for 4-Penten-2-amine, N-methyl-5-(3-pyridinyl)-, (2S,4E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Penten-2-amine, N-methyl-5-(3-pyridinyl)-, (2S,4E)-?
Yes, KEHONG BIO provides custom synthesis services for 4-Penten-2-amine, N-methyl-5-(3-pyridinyl)-, (2S,4E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.