RefChem:527287
TL;DR: RefChem:527287 (CAS 29508-47-2) is a chemical compound with molecular formula C18H21ClN6 and molecular weight 356.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-4-[(2,5-dimethyltriazol-1-ium-1-yl)diazenyl]-N-methylaniline chloride
Also Known As: EINECS 249-670-8, 1H-1,2,4-Triazolium, 1,4-dimethyl-5-((4-(methyl(phenylmethyl)amino)phenyl)azo)-, chloride, N-benzyl-4-[(2,5-dimethyltriazol-1-ium-1-yl)diazenyl]-N-methylaniline;chloride, 4H-1,2,4-Triazolium, 1,4-dimethyl-5-(2-(4-(methyl(phenylmethyl)amino)phenyl)diazenyl)-, chloride (1:1), 1H-1,2,4-Triazolium, 1,4-dimethyl-5-[[4-[methyl(phenylmethyl)amino]phenyl]azo]-, chloride
| Molecular Formula | C18H21ClN6 |
|---|---|
| Molecular Weight | 356.15 g/mol |
| LogP | 0.20342 |
| Topological Polar Surface Area | 49.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.1516 |
| Heavy Atoms | 25 |
| Complexity | 807.0325 |
Chemical Identifiers
| CAS Number | 29508-47-2 |
|---|---|
| SMILES | CC1=[N+](N(N=C1)C)N=NC2=CC=C(C=C2)N(C)CC3=CC=CC=C3.[Cl-] |
Product Overview
RefChem:527287 (CAS 29508-47-2), with molecular formula C18H21ClN6 and molecular weight 356.15 g/mol. IUPAC: N-benzyl-4-[(2,5-dimethyltriazol-1-ium-1-yl)diazenyl]-N-methylaniline chloride.
Chemical Property Profile of RefChem:527287
Property Insights of RefChem:527287
The XLogP value of 0.20342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:527287. With a topological polar surface area (TPSA) of 49.66 Ų, RefChem:527287 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:527287 has 0 hydrogen bond donor(s) and 4 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:527287?
The CAS number of RefChem:527287 is 29508-47-2.
What is the molecular formula of RefChem:527287?
The molecular formula of RefChem:527287 is C18H21ClN6.
What is the molecular weight of RefChem:527287?
The molecular weight of RefChem:527287 is 356.15 g/mol.
Where can I buy RefChem:527287?
You can request a quote for RefChem:527287 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:527287?
Yes, KEHONG BIO provides custom synthesis services for RefChem:527287 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.