1,2,4,5-Tetrazin-3-amine,N-butyl-6-methyl
TL;DR: 1,2,4,5-Tetrazin-3-amine,N-butyl-6-methyl (CAS 78114-63-3) is a chemical compound with molecular formula C22H29Cl2FN2O and molecular weight 426.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-4-(4-fluorophenyl)piperazine;dihydrochloride
Also Known As: 1,2,4,5-Tetrazin-3-amine,N-butyl-6-methyl, Piperazine, 1-(3-((2,3-dihydro-1H-inden-5-yl)oxy)propyl)-4-(4-fluorophenyl)-, dihydrochloride, 1-(3-((2,3-Dihydro-1H-inden-5-yl)oxy)propyl)-4-(4-fluorophenyl)piperazine dihydrochloride, 1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-4-(4-fluorophenyl)piperazine dihydrochloride, 1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-4-(4-fluorophenyl)piperazine,dihydrochloride
| Molecular Formula | C22H29Cl2FN2O |
|---|---|
| Molecular Weight | 426.16 g/mol |
| LogP | 4.7491 |
| Topological Polar Surface Area | 15.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.1641 |
| Heavy Atoms | 28 |
| Complexity | 733.81665 |
Chemical Identifiers
| CAS Number | 78114-63-3 |
|---|---|
| SMILES | C1CC2=C(C1)C=C(C=C2)OCCCN3CCN(CC3)C4=CC=C(C=C4)F.Cl.Cl |
Product Overview
1,2,4,5-Tetrazin-3-amine,N-butyl-6-methyl (CAS 78114-63-3), with molecular formula C22H29Cl2FN2O and molecular weight 426.16 g/mol. IUPAC: 1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-4-(4-fluorophenyl)piperazine;dihydrochloride.
Chemical Property Profile of 1,2,4,5-Tetrazin-3-amine,N-butyl-6-methyl
Property Insights of 1,2,4,5-Tetrazin-3-amine,N-butyl-6-methyl
The XLogP value of 4.7491 indicates that 1,2,4,5-Tetrazin-3-amine,N-butyl-6-methyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.71 Ų, 1,2,4,5-Tetrazin-3-amine,N-butyl-6-methyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4,5-Tetrazin-3-amine,N-butyl-6-methyl has 0 hydrogen bond donor(s) and 3 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 1,2,4,5-Tetrazin-3-amine,N-butyl-6-methyl?
The CAS number of 1,2,4,5-Tetrazin-3-amine,N-butyl-6-methyl is 78114-63-3.
What is the molecular formula of 1,2,4,5-Tetrazin-3-amine,N-butyl-6-methyl?
The molecular formula of 1,2,4,5-Tetrazin-3-amine,N-butyl-6-methyl is C22H29Cl2FN2O.
What is the molecular weight of 1,2,4,5-Tetrazin-3-amine,N-butyl-6-methyl?
The molecular weight of 1,2,4,5-Tetrazin-3-amine,N-butyl-6-methyl is 426.16 g/mol.
Where can I buy 1,2,4,5-Tetrazin-3-amine,N-butyl-6-methyl?
You can request a quote for 1,2,4,5-Tetrazin-3-amine,N-butyl-6-methyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4,5-Tetrazin-3-amine,N-butyl-6-methyl?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4,5-Tetrazin-3-amine,N-butyl-6-methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.