1,2,4-Triazole,3-nitro-1-(3-chloro-2-hydroxy)pro
TL;DR: 1,2,4-Triazole,3-nitro-1-(3-chloro-2-hydroxy)pro (CAS 104958-94-3) is a chemical compound with molecular formula C5H7ClN4O3 and molecular weight 206.02066 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-3-(3-nitro-1,2,4-triazol-1-yl)propan-2-ol
Also Known As: J1.552.372G, 1-chloro-3-(3-nitro-1,2,4-triazol-1-yl)propan-2-ol, 1,2,4-TRIAZOLE,3-NITRO-1-(3-CHLORO-2-HYDROXY)PRO, 1-chloro-3-(3-nitro-1H-1,2,4-triazol-1-yl)propan-2-ol, 3-chloro-1-(3-nitro(1,2,4-triazolyl))propan-2-ol
Technical Specifications
| Molecular Formula | C5H7ClN4O3 |
| Molecular Weight | 206.02066 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.02066 Da |
| Heavy Atoms | 13 |
| Complexity | 187.0 |
| SMILES | C1=NC(=NN1CC(CCl)O)[N+](=O)[O-] |
| InChIKey | VZRHVFFSLCNTPI-UHFFFAOYSA-N |
Chemical Property Profile of 1,2,4-Triazole,3-nitro-1-(3-chloro-2-hydroxy)pro
Property Insights of 1,2,4-Triazole,3-nitro-1-(3-chloro-2-hydroxy)pro
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Triazole,3-nitro-1-(3-chloro-2-hydroxy)pro. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Triazole,3-nitro-1-(3-chloro-2-hydroxy)pro. Following Lipinski's Rule of Five, 1,2,4-Triazole,3-nitro-1-(3-chloro-2-hydroxy)pro has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,2,4-Triazole,3-nitro-1-(3-chloro-2-hydroxy)pro?
The CAS number of 1,2,4-Triazole,3-nitro-1-(3-chloro-2-hydroxy)pro is 104958-94-3.
What is the molecular formula of 1,2,4-Triazole,3-nitro-1-(3-chloro-2-hydroxy)pro?
The molecular formula of 1,2,4-Triazole,3-nitro-1-(3-chloro-2-hydroxy)pro is C5H7ClN4O3.
What is the molecular weight of 1,2,4-Triazole,3-nitro-1-(3-chloro-2-hydroxy)pro?
The molecular weight of 1,2,4-Triazole,3-nitro-1-(3-chloro-2-hydroxy)pro is 206.02066 g/mol.
Where can I buy 1,2,4-Triazole,3-nitro-1-(3-chloro-2-hydroxy)pro?
You can request a quote for 1,2,4-Triazole,3-nitro-1-(3-chloro-2-hydroxy)pro directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2,4-Triazole,3-nitro-1-(3-chloro-2-hydroxy)pro?
Yes, CoreyChem provides custom synthesis services for 1,2,4-Triazole,3-nitro-1-(3-chloro-2-hydroxy)pro and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.