EINECS 261-872-8
TL;DR: EINECS 261-872-8 (CAS 59709-09-0) is a chemical compound with molecular formula C25H26N6O2S and molecular weight 474.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]-N-(2-pyridin-1-ium-1-ylethyl)aniline acetate
Also Known As: EINECS 261-872-8, 1-[2-[ethyl[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]ethyl]pyridinium acetate, 1-(2-(Ethyl(4-((3-phenyl-1,2,4-thiadiazol-5-yl)azo)phenyl)amino)ethyl)pyridinium acetate, N-ethyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]-N-(2-pyridin-1-ium-1-ylethyl)aniline acetate, N-ethyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]-N-(2-pyridin-1-ium-1-ylethyl)aniline,acetate
| Molecular Formula | C25H26N6O2S |
|---|---|
| Molecular Weight | 474.18 g/mol |
| LogP | 4.1907 |
| Topological Polar Surface Area | 97.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 474.1838 |
| Heavy Atoms | 34 |
| Complexity | 1177.0334 |
Chemical Identifiers
| CAS Number | 59709-09-0 |
|---|---|
| SMILES | CCN(CC[N+]1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=NC(=NS3)C4=CC=CC=C4.CC(=O)[O-] |
Product Overview
EINECS 261-872-8 (CAS 59709-09-0), with molecular formula C25H26N6O2S and molecular weight 474.18 g/mol. IUPAC: N-ethyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]-N-(2-pyridin-1-ium-1-ylethyl)aniline acetate.
Chemical Property Profile of EINECS 261-872-8
Property Insights of EINECS 261-872-8
The XLogP value of 4.1907 indicates that EINECS 261-872-8 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.75 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 261-872-8. Following Lipinski's Rule of Five, EINECS 261-872-8 has 0 hydrogen bond donor(s) and 8 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 261-872-8?
The CAS number of EINECS 261-872-8 is 59709-09-0.
What is the molecular formula of EINECS 261-872-8?
The molecular formula of EINECS 261-872-8 is C25H26N6O2S.
What is the molecular weight of EINECS 261-872-8?
The molecular weight of EINECS 261-872-8 is 474.18 g/mol.
Where can I buy EINECS 261-872-8?
You can request a quote for EINECS 261-872-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 261-872-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 261-872-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.