1-Piperazineethanamine, 4-(bis(4-fluorophenyl)methyl)-N-(2,6-dimethyl-3-nitro-4-pyridinyl)-, hydrochloride, hydrate (1:3:3)
TL;DR: 1-Piperazineethanamine, 4-(bis(4-fluorophenyl)methyl)-N-(2,6-dimethyl-3-nitro-4-pyridinyl)-, hydrochloride, hydrate (1:3:3) (CAS 110629-37-3) is a chemical compound with molecular formula C26H32Cl3F2N5O2 and molecular weight 589.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2,6-dimethyl-3-nitropyridin-4-amine;trihydrochloride
Also Known As: 1-Piperazineethanamine, 4-(bis(4-fluorophenyl)methyl)-N-(2,6-dimethyl-3-nitro-4-pyridinyl)-, hydrochloride, hydrate (1:3:3), N-(2-{4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl}ethyl)-2,6-dimethyl-3-nitropyridin-4-amine--hydrogen chloride (1/3), N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2,6-dimethyl-3-nitropyridin-4-amine trihydrochloride, RefChem:233660
| Molecular Formula | C26H32Cl3F2N5O2 |
|---|---|
| Molecular Weight | 589.16 g/mol |
| LogP | 5.96934 |
| Topological Polar Surface Area | 74.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 589.15894 |
| Heavy Atoms | 38 |
| Complexity | 1133.2512 |
Chemical Identifiers
| CAS Number | 110629-37-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=N1)C)[N+](=O)[O-])NCCN2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.Cl.Cl.Cl |
Product Overview
1-Piperazineethanamine, 4-(bis(4-fluorophenyl)methyl)-N-(2,6-dimethyl-3-nitro-4-pyridinyl)-, hydrochloride, hydrate (1:3:3) (CAS 110629-37-3), with molecular formula C26H32Cl3F2N5O2 and molecular weight 589.16 g/mol. IUPAC: N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2,6-dimethyl-3-nitropyridin-4-amine;trihydrochloride.
Chemical Property Profile of 1-Piperazineethanamine, 4-(bis(4-fluorophenyl)methyl)-N-(2,6-dimethyl-3-nitro-4-pyridinyl)-, hydrochloride, hydrate (1:3:3)
Property Insights of 1-Piperazineethanamine, 4-(bis(4-fluorophenyl)methyl)-N-(2,6-dimethyl-3-nitro-4-pyridinyl)-, hydrochloride, hydrate (1:3:3)
The XLogP value of 5.96934 indicates that 1-Piperazineethanamine, 4-(bis(4-fluorophenyl)methyl)-N-(2,6-dimethyl-3-nitro-4-pyridinyl)-, hydrochloride, hydrate (1:3:3) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Piperazineethanamine, 4-(bis(4-fluorophenyl)methyl)-N-(2,6-dimethyl-3-nitro-4-pyridinyl)-, hydrochloride, hydrate (1:3:3). Following Lipinski's Rule of Five, 1-Piperazineethanamine, 4-(bis(4-fluorophenyl)methyl)-N-(2,6-dimethyl-3-nitro-4-pyridinyl)-, hydrochloride, hydrate (1:3:3) has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Piperazineethanamine, 4-(bis(4-fluorophenyl)methyl)-N-(2,6-dimethyl-3-nitro-4-pyridinyl)-, hydrochloride, hydrate (1:3:3)?
The CAS number of 1-Piperazineethanamine, 4-(bis(4-fluorophenyl)methyl)-N-(2,6-dimethyl-3-nitro-4-pyridinyl)-, hydrochloride, hydrate (1:3:3) is 110629-37-3.
What is the molecular formula of 1-Piperazineethanamine, 4-(bis(4-fluorophenyl)methyl)-N-(2,6-dimethyl-3-nitro-4-pyridinyl)-, hydrochloride, hydrate (1:3:3)?
The molecular formula of 1-Piperazineethanamine, 4-(bis(4-fluorophenyl)methyl)-N-(2,6-dimethyl-3-nitro-4-pyridinyl)-, hydrochloride, hydrate (1:3:3) is C26H32Cl3F2N5O2.
What is the molecular weight of 1-Piperazineethanamine, 4-(bis(4-fluorophenyl)methyl)-N-(2,6-dimethyl-3-nitro-4-pyridinyl)-, hydrochloride, hydrate (1:3:3)?
The molecular weight of 1-Piperazineethanamine, 4-(bis(4-fluorophenyl)methyl)-N-(2,6-dimethyl-3-nitro-4-pyridinyl)-, hydrochloride, hydrate (1:3:3) is 589.16 g/mol.
Where can I buy 1-Piperazineethanamine, 4-(bis(4-fluorophenyl)methyl)-N-(2,6-dimethyl-3-nitro-4-pyridinyl)-, hydrochloride, hydrate (1:3:3)?
You can request a quote for 1-Piperazineethanamine, 4-(bis(4-fluorophenyl)methyl)-N-(2,6-dimethyl-3-nitro-4-pyridinyl)-, hydrochloride, hydrate (1:3:3) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperazineethanamine, 4-(bis(4-fluorophenyl)methyl)-N-(2,6-dimethyl-3-nitro-4-pyridinyl)-, hydrochloride, hydrate (1:3:3)?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazineethanamine, 4-(bis(4-fluorophenyl)methyl)-N-(2,6-dimethyl-3-nitro-4-pyridinyl)-, hydrochloride, hydrate (1:3:3) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.