EINECS 260-357-5
TL;DR: EINECS 260-357-5 (CAS 56729-05-6) is a chemical compound with molecular formula C21H25ClN6O2 and molecular weight 428.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(1,5-dimethyl-3H-1,2,4-triazol-1-ium-3-yl)diazenyl]-N-ethylanilino]ethyl benzoate chloride
Also Known As: EINECS 260-357-5, 3-((4-((2-(Benzoyloxy)ethyl)ethylamino)phenyl)azo)dimethyl-1H-1,2,4-triazolium chloride, 1H-1,2,4-Triazolium,3-[[4-[[2-(benzoyloxy)ethyl]ethylamino]phenyl]azo]dimethyl-, chloride (9CI), 2-[4-[(1,5-dimethyl-3H-1,2,4-triazol-1-ium-3-yl)diazenyl]-N-ethylanilino]ethyl benzoate chloride
| Molecular Formula | C21H25ClN6O2 |
|---|---|
| Molecular Weight | 428.17 g/mol |
| LogP | 1.2677 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 428.17276 |
| Heavy Atoms | 30 |
| Complexity | 910.2726 |
Chemical Identifiers
| CAS Number | 56729-05-6 |
|---|---|
| SMILES | CCN(CCOC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)N=NC3N=C([N+](=N3)C)C.[Cl-] |
Product Overview
EINECS 260-357-5 (CAS 56729-05-6), with molecular formula C21H25ClN6O2 and molecular weight 428.17 g/mol. IUPAC: 2-[4-[(1,5-dimethyl-3H-1,2,4-triazol-1-ium-3-yl)diazenyl]-N-ethylanilino]ethyl benzoate chloride.
Chemical Property Profile of EINECS 260-357-5
Property Insights of EINECS 260-357-5
The XLogP value of 1.2677 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 260-357-5. The TPSA of 81.99 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 260-357-5. Following Lipinski's Rule of Five, EINECS 260-357-5 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 EINECS 260-357-5?
The CAS number of EINECS 260-357-5 is 56729-05-6.
What is the molecular formula of EINECS 260-357-5?
The molecular formula of EINECS 260-357-5 is C21H25ClN6O2.
What is the molecular weight of EINECS 260-357-5?
The molecular weight of EINECS 260-357-5 is 428.17 g/mol.
Where can I buy EINECS 260-357-5?
You can request a quote for EINECS 260-357-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 260-357-5?
Yes, KEHONG BIO provides custom synthesis services for EINECS 260-357-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.