Alinidine
TL;DR: Alinidine (CAS 33178-86-8) is a chemical compound with molecular formula C12H13Cl2N3 and molecular weight 269.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,6-dichlorophenyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine
Also Known As: Alinidine, Alinidina, Alinidin, Alinidinum, N-allylclonidine
| Molecular Formula | C12H13Cl2N3 |
|---|---|
| Molecular Weight | 269.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 27.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.04865 |
| Heavy Atoms | 17 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 33178-86-8 |
|---|---|
| SMILES | C=CCN(C1=C(C=CC=C1Cl)Cl)C2=NCCN2 |
| InChIKey | OXTYVEUAQHPPMV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Alinidine (CAS 33178-86-8), with molecular formula C12H13Cl2N3 and molecular weight 269.05 g/mol. IUPAC: N-(2,6-dichlorophenyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine.
Chemical Property Profile of Alinidine
Property Insights of Alinidine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alinidine. With a topological polar surface area (TPSA) of 27.6 Ų, Alinidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Alinidine 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 Alinidine?
The CAS number of Alinidine is 33178-86-8.
What is the molecular formula of Alinidine?
The molecular formula of Alinidine is C12H13Cl2N3.
What is the molecular weight of Alinidine?
The molecular weight of Alinidine is 269.05 g/mol.
Where can I buy Alinidine?
You can request a quote for Alinidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alinidine?
Yes, KEHONG BIO provides custom synthesis services for Alinidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.