RefChem:438146
TL;DR: RefChem:438146 (CAS 36116-31-1) is a chemical compound with molecular formula C20H25Cl2N5O and molecular weight 421.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(7-chloro-1,3-dimethylbenzimidazol-1-ium-4-yl)diazenyl]-N-ethyl-3-methylanilino]ethanol chloride
Also Known As: 1H-Benzimidazolium, 6-chloro-4-((4-(ethyl(2-hydroxyethyl)amino)-2-methylphenyl)azo)-1,3-dimethyl-, chloride, 1H-Benzimidazolium, 6-chloro-4-(2-(4-(ethyl(2-hydroxyethyl)amino)-2-methylphenyl)diazenyl)-1,3-dimethyl-, chloride (1:1), 5-chloro-7-[[4-[ethyl(2-hydroxyethyl)amino]-2-benzyl]azo]-1,3-dimethyl-1H-benzimidazolium chloride, 1H-Benzimidazolium, 6-chloro-4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]azo]-1,3-dimethyl-, chloride, 4-chloro-7-[(e)-{4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl}diazenyl]-1,3-dimethyl-1h-3,1-benzimidazol-3-ium chloride
| Molecular Formula | C20H25Cl2N5O |
|---|---|
| Molecular Weight | 421.14 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 57.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.14362 |
| Heavy Atoms | 28 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 36116-31-1 |
|---|---|
| SMILES | CCN(CCO)C1=CC(=C(C=C1)N=NC2=C3C(=C(C=C2)Cl)[N+](=CN3C)C)C.[Cl-] |
| InChIKey | HVROWUCXNWCLIT-UHFFFAOYSA-M |
Product Overview
RefChem:438146 (CAS 36116-31-1), with molecular formula C20H25Cl2N5O and molecular weight 421.14 g/mol. IUPAC: 2-[4-[(7-chloro-1,3-dimethylbenzimidazol-1-ium-4-yl)diazenyl]-N-ethyl-3-methylanilino]ethanol chloride.
Chemical Property Profile of RefChem:438146
Property Insights of RefChem:438146
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:438146. With a topological polar surface area (TPSA) of 57.0 Ų, RefChem:438146 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:438146 has 1 hydrogen bond donor(s) and 5 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:438146?
The CAS number of RefChem:438146 is 36116-31-1.
What is the molecular formula of RefChem:438146?
The molecular formula of RefChem:438146 is C20H25Cl2N5O.
What is the molecular weight of RefChem:438146?
The molecular weight of RefChem:438146 is 421.14 g/mol.
Where can I buy RefChem:438146?
You can request a quote for RefChem:438146 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:438146?
Yes, KEHONG BIO provides custom synthesis services for RefChem:438146 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.