N-(4-Aminobut-2-enyl)pyrolle
TL;DR: N-(4-Aminobut-2-enyl)pyrolle (CAS 53166-09-9) is a chemical compound with molecular formula C8H12N2 and molecular weight 136.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-pyrrol-1-ylbut-2-en-1-amine
Also Known As: N-(4-Aminobut-2-enyl)pyrolle, (E)-4-pyrrol-1-ylbut-2-en-1-amine, (2E)-4-(1H-Pyrrol-1-yl)-2-buten-1-amine, (2E)-4-(1H-Pyrrol-1-yl)-2-buten-1-amine #
| Molecular Formula | C8H12N2 |
|---|---|
| Molecular Weight | 136.10 g/mol |
| LogP | 1.003 |
| Topological Polar Surface Area | 30.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 136.10005 |
| Heavy Atoms | 10 |
| Complexity | 187.03232 |
Chemical Identifiers
| CAS Number | 53166-09-9 |
|---|---|
| SMILES | C1=CN(C=C1)C/C=C/CN |
Product Overview
N-(4-Aminobut-2-enyl)pyrolle (CAS 53166-09-9), with molecular formula C8H12N2 and molecular weight 136.10 g/mol. IUPAC: (E)-4-pyrrol-1-ylbut-2-en-1-amine.
Chemical Property Profile of N-(4-Aminobut-2-enyl)pyrolle
Property Insights of N-(4-Aminobut-2-enyl)pyrolle
The XLogP value of 1.003 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-Aminobut-2-enyl)pyrolle. With a topological polar surface area (TPSA) of 30.95 Ų, N-(4-Aminobut-2-enyl)pyrolle exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-Aminobut-2-enyl)pyrolle has 1 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 N-(4-Aminobut-2-enyl)pyrolle?
The CAS number of N-(4-Aminobut-2-enyl)pyrolle is 53166-09-9.
What is the molecular formula of N-(4-Aminobut-2-enyl)pyrolle?
The molecular formula of N-(4-Aminobut-2-enyl)pyrolle is C8H12N2.
What is the molecular weight of N-(4-Aminobut-2-enyl)pyrolle?
The molecular weight of N-(4-Aminobut-2-enyl)pyrolle is 136.10 g/mol.
Where can I buy N-(4-Aminobut-2-enyl)pyrolle?
You can request a quote for N-(4-Aminobut-2-enyl)pyrolle directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Aminobut-2-enyl)pyrolle?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Aminobut-2-enyl)pyrolle and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.