齐美利定
TL;DR: 齐美利定 (CAS 56775-88-3) is a chemical compound with molecular formula C16H17BrN2 and molecular weight 316.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
齐美利定
3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine
Also Known As: Zimeldine, Zimelidine, cis-Zimelidine, Zimeldinum, Zimeldina
| Molecular Formula | C16H17BrN2 |
|---|---|
| Molecular Weight | 316.06 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 16.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.0575 |
| Heavy Atoms | 19 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 56775-88-3 |
|---|---|
| SMILES | CN(C)CC=C(C1=CC=C(C=C1)Br)C2=CN=CC=C2 |
| InChIKey | OYPPVKRFBIWMSX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
齐美利定 (CAS 56775-88-3), with molecular formula C16H17BrN2 and molecular weight 316.06 g/mol. IUPAC: 3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine.
Chemical Property Profile of 齐美利定
Property Insights of 齐美利定
The XLogP value of 3.9 indicates that 齐美利定 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 16.1 Ų, 齐美利定 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 齐美利定 has 0 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 齐美利定?
The CAS number of 齐美利定 is 56775-88-3.
What is the molecular formula of 齐美利定?
The molecular formula of 齐美利定 is C16H17BrN2.
What is the molecular weight of 齐美利定?
The molecular weight of 齐美利定 is 316.06 g/mol.
Where can I buy 齐美利定?
You can request a quote for 齐美利定 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 齐美利定?
Yes, KEHONG BIO provides custom synthesis services for 齐美利定 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.