![4-chloro-2-[1-(1H-1,2,4-triazol-4-ium-4-ylamino)ethyl]phenolate structure](/static/products/6944/694499-49-5.webp)
4-chloro-2-[1-(1H-1,2,4-triazol-4-ium-4-ylamino)ethyl]phenolate
TL;DR: 4-chloro-2-[1-(1H-1,2,4-triazol-4-ium-4-ylamino)ethyl]phenolate (CAS 694499-49-5) is a chemical compound with molecular formula C10H11ClN4O and molecular weight 238.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-[1-(1,2,4-triazol-4-ylamino)ethyl]phenol
Also Known As: BAS 06969182, 4-chloro-2-[1-(1,2,4-triazol-4-ylamino)ethyl]phenol, 4-Chloro-2-[1-([1,2,4]triazol-4-ylamino)-ethyl]-phenol, 2-(1-((4H-1,2,4-triazol-4-yl)amino)ethyl)-4-chlorophenol, 4-chloro-2-[1-(1H-1,2,4-triazol-4-ium-4-ylamino)ethyl]phenolate
| Molecular Formula | C10H11ClN4O |
|---|---|
| Molecular Weight | 238.06 g/mol |
| LogP | 1.9418 |
| Topological Polar Surface Area | 62.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.06213 |
| Heavy Atoms | 16 |
| Complexity | 471.6762 |
Chemical Identifiers
| CAS Number | 694499-49-5 |
|---|---|
| SMILES | CC(C1=C(C=CC(=C1)Cl)O)NN2C=NN=C2 |
Product Overview
4-chloro-2-[1-(1H-1,2,4-triazol-4-ium-4-ylamino)ethyl]phenolate (CAS 694499-49-5), with molecular formula C10H11ClN4O and molecular weight 238.06 g/mol. IUPAC: 4-chloro-2-[1-(1,2,4-triazol-4-ylamino)ethyl]phenol.
Chemical Property Profile of 4-chloro-2-[1-(1H-1,2,4-triazol-4-ium-4-ylamino)ethyl]phenolate
Property Insights of 4-chloro-2-[1-(1H-1,2,4-triazol-4-ium-4-ylamino)ethyl]phenolate
The XLogP value of 1.9418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-2-[1-(1H-1,2,4-triazol-4-ium-4-ylamino)ethyl]phenolate. The TPSA of 62.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-2-[1-(1H-1,2,4-triazol-4-ium-4-ylamino)ethyl]phenolate. Following Lipinski's Rule of Five, 4-chloro-2-[1-(1H-1,2,4-triazol-4-ium-4-ylamino)ethyl]phenolate has 2 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 4-chloro-2-[1-(1H-1,2,4-triazol-4-ium-4-ylamino)ethyl]phenolate?
The CAS number of 4-chloro-2-[1-(1H-1,2,4-triazol-4-ium-4-ylamino)ethyl]phenolate is 694499-49-5.
What is the molecular formula of 4-chloro-2-[1-(1H-1,2,4-triazol-4-ium-4-ylamino)ethyl]phenolate?
The molecular formula of 4-chloro-2-[1-(1H-1,2,4-triazol-4-ium-4-ylamino)ethyl]phenolate is C10H11ClN4O.
What is the molecular weight of 4-chloro-2-[1-(1H-1,2,4-triazol-4-ium-4-ylamino)ethyl]phenolate?
The molecular weight of 4-chloro-2-[1-(1H-1,2,4-triazol-4-ium-4-ylamino)ethyl]phenolate is 238.06 g/mol.
Where can I buy 4-chloro-2-[1-(1H-1,2,4-triazol-4-ium-4-ylamino)ethyl]phenolate?
You can request a quote for 4-chloro-2-[1-(1H-1,2,4-triazol-4-ium-4-ylamino)ethyl]phenolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-2-[1-(1H-1,2,4-triazol-4-ium-4-ylamino)ethyl]phenolate?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-2-[1-(1H-1,2,4-triazol-4-ium-4-ylamino)ethyl]phenolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.