RefChem:282040
TL;DR: RefChem:282040 (CAS 110629-31-7) is a chemical compound with molecular formula C27H34Cl3N5 and molecular weight 533.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-benzhydrylpiperazin-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile;trihydrochloride
Also Known As: 3-Pyridinecarbonitrile, 2,6-dimethyl-4-((2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)amino)-, trihydrochloride, 4-({2-[4-(Diphenylmethyl)piperazin-1-yl]ethyl}amino)-2,6-dimethylpyridine-3-carbonitrile--hydrogen chloride (1/3), 4-[2-(4-benzhydrylpiperazin-1-yl)ethylamino]-2,6-dimethyl-pyridine-3-carbonitrile Trihydrochloride, 4-[2-(4-benzhydrylpiperazin-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile trihydrochloride, RefChem:282040
| Molecular Formula | C27H34Cl3N5 |
|---|---|
| Molecular Weight | 533.19 g/mol |
| LogP | 5.65462 |
| Topological Polar Surface Area | 55.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 533.188 |
| Heavy Atoms | 35 |
| Complexity | 1025.9249 |
Chemical Identifiers
| CAS Number | 110629-31-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=N1)C)C#N)NCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4.Cl.Cl.Cl |
Product Overview
RefChem:282040 (CAS 110629-31-7), with molecular formula C27H34Cl3N5 and molecular weight 533.19 g/mol. IUPAC: 4-[2-(4-benzhydrylpiperazin-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile;trihydrochloride.
Chemical Property Profile of RefChem:282040
Property Insights of RefChem:282040
The XLogP value of 5.65462 indicates that RefChem:282040 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.19 Ų, RefChem:282040 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:282040 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:282040?
The CAS number of RefChem:282040 is 110629-31-7.
What is the molecular formula of RefChem:282040?
The molecular formula of RefChem:282040 is C27H34Cl3N5.
What is the molecular weight of RefChem:282040?
The molecular weight of RefChem:282040 is 533.19 g/mol.
Where can I buy RefChem:282040?
You can request a quote for RefChem:282040 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:282040?
Yes, KEHONG BIO provides custom synthesis services for RefChem:282040 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.