RefChem:177636
TL;DR: RefChem:177636 (CAS 23258-43-7) is a chemical compound with molecular formula C22H21ClN6O2 and molecular weight 436.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[ethyl(2-pyridin-1-ium-1-ylethyl)amino]phenyl]diazenyl]-5-nitrobenzonitrile chloride
Also Known As: 1-[2-[[4-[(2-Cyano-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium chloride, 1-[2-[[4-[ azo]phenyl]ethylamino]ethyl]pyridiniumchloride, Pyridinium, 1-(2-((4-(2-(2-cyano-4-nitrophenyl)diazenyl)phenyl)ethylamino)ethyl)-, chloride (1:1), 1-(2-((4-((2-Cyano-4-nitrophenyl)azo)phenyl)ethylamino)ethyl)pyridinium chloride, 1-{2-[{4-[(e)-(2-cyano-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]ethyl}pyridinium chloride
| Molecular Formula | C22H21ClN6O2 |
|---|---|
| Molecular Weight | 436.14 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.14145 |
| Heavy Atoms | 31 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 23258-43-7 |
|---|---|
| SMILES | CCN(CC[N+]1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])C#N.[Cl-] |
| InChIKey | MFBCTBZUVCLGMM-UHFFFAOYSA-M |
Product Overview
RefChem:177636 (CAS 23258-43-7), with molecular formula C22H21ClN6O2 and molecular weight 436.14 g/mol. IUPAC: 2-[[4-[ethyl(2-pyridin-1-ium-1-ylethyl)amino]phenyl]diazenyl]-5-nitrobenzonitrile chloride.
Chemical Property Profile of RefChem:177636
Property Insights of RefChem:177636
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:177636. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:177636. Following Lipinski's Rule of Five, RefChem:177636 has 0 hydrogen bond donor(s) and 7 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 RefChem:177636?
The CAS number of RefChem:177636 is 23258-43-7.
What is the molecular formula of RefChem:177636?
The molecular formula of RefChem:177636 is C22H21ClN6O2.
What is the molecular weight of RefChem:177636?
The molecular weight of RefChem:177636 is 436.14 g/mol.
Where can I buy RefChem:177636?
You can request a quote for RefChem:177636 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:177636?
Yes, KEHONG BIO provides custom synthesis services for RefChem:177636 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.