RefChem:295668
TL;DR: RefChem:295668 (CAS 110642-79-0) is a chemical compound with molecular formula C27H34Cl2N4O3 and molecular weight 532.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[2-[(2,6-dimethyl-3-nitro-4-pyridinyl)amino]ethyl]piperidin-4-yl]-diphenylmethanol;dihydrochloride
Also Known As: 4-Piperidinemethanol, 1-(2-((2,6-dimethyl-3-nitro-4-pyridinyl)amino)ethyl)-alpha,alpha-diphenyl-, dihydrochloride, (1-{2-[(2,6-Dimethyl-3-nitropyridin-4-yl)amino]ethyl}piperidin-4-yl)di(phenyl)methanol--hydrogen chloride (1/2), [1-[2-[(2,6-dimethyl-3-nitropyridin-4-yl)amino]ethyl]piperidin-4-yl]-diphenylmethanol dihydrochloride, RefChem:295668
| Molecular Formula | C27H34Cl2N4O3 |
|---|---|
| Molecular Weight | 532.20 g/mol |
| LogP | 5.51024 |
| Topological Polar Surface Area | 91.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 532.2008 |
| Heavy Atoms | 36 |
| Complexity | 1085.1226 |
Chemical Identifiers
| CAS Number | 110642-79-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=N1)C)[N+](=O)[O-])NCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.Cl.Cl |
Product Overview
RefChem:295668 (CAS 110642-79-0), with molecular formula C27H34Cl2N4O3 and molecular weight 532.20 g/mol. IUPAC: [1-[2-[(2,6-dimethyl-3-nitro-4-pyridinyl)amino]ethyl]piperidin-4-yl]-diphenylmethanol;dihydrochloride.
Chemical Property Profile of RefChem:295668
Property Insights of RefChem:295668
The XLogP value of 5.51024 indicates that RefChem:295668 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.53 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:295668. Following Lipinski's Rule of Five, RefChem:295668 has 2 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 RefChem:295668?
The CAS number of RefChem:295668 is 110642-79-0.
What is the molecular formula of RefChem:295668?
The molecular formula of RefChem:295668 is C27H34Cl2N4O3.
What is the molecular weight of RefChem:295668?
The molecular weight of RefChem:295668 is 532.20 g/mol.
Where can I buy RefChem:295668?
You can request a quote for RefChem:295668 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:295668?
Yes, KEHONG BIO provides custom synthesis services for RefChem:295668 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.