3-Buten-2-amine, 4-phenyl-, (3E)-
TL;DR: 3-Buten-2-amine, 4-phenyl-, (3E)- (CAS 53309-95-8) is a chemical compound with molecular formula C10H13N and molecular weight 147.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenylbut-3-en-2-amine
Also Known As: 4-phenylbut-3-en-2-amine, 3-Buten-2-amine, 4-phenyl-, (r,e)-4-Phenylbut-3-en-2-amine, 3-Buten-2-amine, 4-phenyl-, (3E)-, N-methyl-3-phenylprop-2-en-1-amine
| Molecular Formula | C10H13N |
|---|---|
| Molecular Weight | 147.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 147.1048 |
| Heavy Atoms | 11 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 53309-95-8 |
|---|---|
| SMILES | CC(C=CC1=CC=CC=C1)N |
| InChIKey | QPVUUOXSCVQZQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Buten-2-amine, 4-phenyl-, (3E)- (CAS 53309-95-8), with molecular formula C10H13N and molecular weight 147.10 g/mol. IUPAC: 4-phenylbut-3-en-2-amine.
Chemical Property Profile of 3-Buten-2-amine, 4-phenyl-, (3E)-
Property Insights of 3-Buten-2-amine, 4-phenyl-, (3E)-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Buten-2-amine, 4-phenyl-, (3E)-. With a topological polar surface area (TPSA) of 26.0 Ų, 3-Buten-2-amine, 4-phenyl-, (3E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-2-amine, 4-phenyl-, (3E)- 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 3-Buten-2-amine, 4-phenyl-, (3E)-?
The CAS number of 3-Buten-2-amine, 4-phenyl-, (3E)- is 53309-95-8.
What is the molecular formula of 3-Buten-2-amine, 4-phenyl-, (3E)-?
The molecular formula of 3-Buten-2-amine, 4-phenyl-, (3E)- is C10H13N.
What is the molecular weight of 3-Buten-2-amine, 4-phenyl-, (3E)-?
The molecular weight of 3-Buten-2-amine, 4-phenyl-, (3E)- is 147.10 g/mol.
Where can I buy 3-Buten-2-amine, 4-phenyl-, (3E)-?
You can request a quote for 3-Buten-2-amine, 4-phenyl-, (3E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Buten-2-amine, 4-phenyl-, (3E)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-2-amine, 4-phenyl-, (3E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.