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 206.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C5H7ClN4O3 |
|---|---|
| Molecular Weight | 206.02 g/mol |
| LogP | -0.214 |
| Topological Polar Surface Area | 94.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.02066 |
| Heavy Atoms | 13 |
| Complexity | 301.72455 |
Chemical Identifiers
| CAS Number | 104958-94-3 |
|---|---|
| SMILES | C1=NC(=NN1CC(CCl)O)[N+](=O)[O-] |
Product Overview
1,2,4-Triazole,3-nitro-1-(3-chloro-2-hydroxy)pro (CAS 104958-94-3), with molecular formula C5H7ClN4O3 and molecular weight 206.02 g/mol. IUPAC: 1-chloro-3-(3-nitro-1,2,4-triazol-1-yl)propan-2-ol.
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 -0.214 indicates that 1,2,4-Triazole,3-nitro-1-(3-chloro-2-hydroxy)pro is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.08 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
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 206.02 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Triazole,3-nitro-1-(3-chloro-2-hydroxy)pro?
Yes, KEHONG BIO 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.