2,2,2-Trichloro-1-(S-triazol-3-ylamino)ethanol
TL;DR: 2,2,2-Trichloro-1-(S-triazol-3-ylamino)ethanol (CAS 16977-58-5) is a chemical compound with molecular formula C4H5Cl3N4O and molecular weight 229.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloro-1-(1H-1,2,4-triazol-5-ylamino)ethanol
Also Known As: 2,2,2-TRICHLORO-1-(S-TRIAZOL-3-YLAMINO)ETHANOL, J1.567.279J, Ethanol, 2,2,2-trichloro-1-(s-triazol-3-ylamino)-, 2,2,2-trichloro-1-(1H-1,2,4-triazol-5-ylamino)ethanol, 2,2,2-Trichloro-1-(1H-1,2,4-triazole-3-ylamino)ethanol
| Molecular Formula | C4H5Cl3N4O |
|---|---|
| Molecular Weight | 229.95 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.9529 |
| Heavy Atoms | 12 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 16977-58-5 |
|---|---|
| SMILES | C1=NNC(=N1)NC(C(Cl)(Cl)Cl)O |
| InChIKey | YHMBYQOMSDNIBL-UHFFFAOYSA-N |
Product Overview
2,2,2-Trichloro-1-(S-triazol-3-ylamino)ethanol (CAS 16977-58-5), with molecular formula C4H5Cl3N4O and molecular weight 229.95 g/mol. IUPAC: 2,2,2-trichloro-1-(1H-1,2,4-triazol-5-ylamino)ethanol.
Chemical Property Profile of 2,2,2-Trichloro-1-(S-triazol-3-ylamino)ethanol
Property Insights of 2,2,2-Trichloro-1-(S-triazol-3-ylamino)ethanol
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-Trichloro-1-(S-triazol-3-ylamino)ethanol. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,2-Trichloro-1-(S-triazol-3-ylamino)ethanol. Following Lipinski's Rule of Five, 2,2,2-Trichloro-1-(S-triazol-3-ylamino)ethanol has 3 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 2,2,2-Trichloro-1-(S-triazol-3-ylamino)ethanol?
The CAS number of 2,2,2-Trichloro-1-(S-triazol-3-ylamino)ethanol is 16977-58-5.
What is the molecular formula of 2,2,2-Trichloro-1-(S-triazol-3-ylamino)ethanol?
The molecular formula of 2,2,2-Trichloro-1-(S-triazol-3-ylamino)ethanol is C4H5Cl3N4O.
What is the molecular weight of 2,2,2-Trichloro-1-(S-triazol-3-ylamino)ethanol?
The molecular weight of 2,2,2-Trichloro-1-(S-triazol-3-ylamino)ethanol is 229.95 g/mol.
Where can I buy 2,2,2-Trichloro-1-(S-triazol-3-ylamino)ethanol?
You can request a quote for 2,2,2-Trichloro-1-(S-triazol-3-ylamino)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trichloro-1-(S-triazol-3-ylamino)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trichloro-1-(S-triazol-3-ylamino)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.