RefChem:233661
TL;DR: RefChem:233661 (CAS 110629-42-0) is a chemical compound with molecular formula C24H30Cl3N5O2 and molecular weight 525.1465 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-3-nitropyridin-4-amine;trihydrochloride
Also Known As: 1-Piperazineethanamine, 4-(diphenylmethyl)-N-(3-nitro-4-pyridinyl)-, hydrochloride, hydrate (1:3:1), N-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-3-nitro-pyridin-4-amine Trihydrochloride, N-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-3-nitropyridin-4-amine trihydrochloride, N-{2-[4-(Diphenylmethyl)piperazin-1-yl]ethyl}-3-nitropyridin-4-amine--hydrogen chloride (1/3)
Technical Specifications
| Molecular Formula | C24H30Cl3N5O2 |
| Molecular Weight | 525.1465 g/mol |
| XLogP | 5.0743 |
| Topological Polar Surface Area (TPSA) | 77.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 525.1465 Da |
| Heavy Atoms | 34 |
| Complexity | 519.0 |
| SMILES | C1CN(CCN1CCNC2=C(C=NC=C2)[N+](=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4.Cl.Cl.Cl |
| InChIKey | DIFKJFNSZQOFTE-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:233661
Property Insights of RefChem:233661
The XLogP value of 5.0743 indicates that RefChem:233661 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:233661. Following Lipinski's Rule of Five, RefChem:233661 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:233661?
The CAS number of RefChem:233661 is 110629-42-0.
What is the molecular formula of RefChem:233661?
The molecular formula of RefChem:233661 is C24H30Cl3N5O2.
What is the molecular weight of RefChem:233661?
The molecular weight of RefChem:233661 is 525.1465 g/mol.
Where can I buy RefChem:233661?
You can request a quote for RefChem:233661 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:233661?
Yes, CoreyChem provides custom synthesis services for RefChem:233661 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.