Almitrine
TL;DR: Almitrine (CAS 27469-53-0) is a chemical compound with molecular formula C26H29F2N7 and molecular weight 477.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
Also Known As: ALMITRINE, Almitrina, Almitrin, Almitrinum, Vectarion
| Molecular Formula | C26H29F2N7 |
|---|---|
| Molecular Weight | 477.25 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 69.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 477.24524 |
| Heavy Atoms | 35 |
| Complexity | 602.0 |
| Solubility | 1.44e-02 g/L |
Chemical Identifiers
| CAS Number | 27469-53-0 |
|---|---|
| SMILES | C=CCNC1=NC(=NC(=N1)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)NCC=C |
| InChIKey | OBDOVFRMEYHSQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Almitrine (CAS 27469-53-0), with molecular formula C26H29F2N7 and molecular weight 477.25 g/mol. IUPAC: 6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of Almitrine
Property Insights of Almitrine
The XLogP value of 5.6 indicates that Almitrine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Almitrine. Following Lipinski's Rule of Five, Almitrine has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Almitrine?
The CAS number of Almitrine is 27469-53-0.
What is the molecular formula of Almitrine?
The molecular formula of Almitrine is C26H29F2N7.
What is the molecular weight of Almitrine?
The molecular weight of Almitrine is 477.25 g/mol.
Where can I buy Almitrine?
You can request a quote for Almitrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Almitrine?
Yes, KEHONG BIO provides custom synthesis services for Almitrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.