Almitrine Monomethanesulfonate
TL;DR: Almitrine Monomethanesulfonate (CAS 106648-10-6) is a chemical compound with molecular formula C27H33F2N7O3S and molecular weight 573.23334 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine;methanesulfonic acid
Also Known As: Vectarion, Almitrine mesylate, Almitrine dimesylate, Almitrine bismesylate, Almitrine dimethanesulfonate
Technical Specifications
| Molecular Formula | C27H33F2N7O3S |
| Molecular Weight | 573.23334 g/mol |
| XLogP | 3.76 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 573.23334 Da |
| Heavy Atoms | 40 |
| Complexity | 694.0 |
| SMILES | CS(=O)(=O)O.C=CCNC1=NC(=NC(=N1)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)NCC=C |
| InChIKey | QLOOZWWKRKLKMX-UHFFFAOYSA-N |
Chemical Property Profile of Almitrine Monomethanesulfonate
Property Insights of Almitrine Monomethanesulfonate
The XLogP value of 3.76 indicates that Almitrine Monomethanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Almitrine Monomethanesulfonate. Following Lipinski's Rule of Five, Almitrine Monomethanesulfonate has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Almitrine Monomethanesulfonate?
The CAS number of Almitrine Monomethanesulfonate is 106648-10-6.
What is the molecular formula of Almitrine Monomethanesulfonate?
The molecular formula of Almitrine Monomethanesulfonate is C27H33F2N7O3S.
What is the molecular weight of Almitrine Monomethanesulfonate?
The molecular weight of Almitrine Monomethanesulfonate is 573.23334 g/mol.
Where can I buy Almitrine Monomethanesulfonate?
You can request a quote for Almitrine Monomethanesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Almitrine Monomethanesulfonate?
Yes, CoreyChem provides custom synthesis services for Almitrine Monomethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.