RefChem:214381
TL;DR: RefChem:214381 (CAS 5458-42-4) is a chemical compound with molecular formula C12H14FN3O4 and molecular weight 283.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,3R)-1-[2-(2-fluorophenyl)triazol-4-yl]butane-1,2,3,4-tetrol
Also Known As: 5-DTAF, KST-1A5882, (1r,2s,3r)-1-[2-(2-fluorophenyl)-2h-1,2,3-triazol-4-yl]butane-1,2,3,4-tetrol, 1,2,3,4-Butanetetrol, 1-(2-(2-fluorophenyl)-2H-1,2,3-triazol-4-yl)-, (1R-(1R*,2S*,3R*))-, (1R,2S,3R)-1-[2-(2-fluorophenyl)triazol-4-yl]butane-1,2,3,4-tetrol
| Molecular Formula | C12H14FN3O4 |
|---|---|
| Molecular Weight | 283.10 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.09683 |
| Heavy Atoms | 20 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 5458-42-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N2N=CC(=N2)[C@H]([C@@H]([C@@H](CO)O)O)O)F |
| InChIKey | GUACULBKHHAZAP-IJLUTSLNSA-N |
Product Overview
RefChem:214381 (CAS 5458-42-4), with molecular formula C12H14FN3O4 and molecular weight 283.10 g/mol. IUPAC: (1R,2S,3R)-1-[2-(2-fluorophenyl)triazol-4-yl]butane-1,2,3,4-tetrol.
Chemical Property Profile of RefChem:214381
Property Insights of RefChem:214381
The XLogP value of -0.7 indicates that RefChem:214381 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:214381. Following Lipinski's Rule of Five, RefChem:214381 has 4 hydrogen bond donor(s) and 7 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 RefChem:214381?
The CAS number of RefChem:214381 is 5458-42-4.
What is the molecular formula of RefChem:214381?
The molecular formula of RefChem:214381 is C12H14FN3O4.
What is the molecular weight of RefChem:214381?
The molecular weight of RefChem:214381 is 283.10 g/mol.
Where can I buy RefChem:214381?
You can request a quote for RefChem:214381 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:214381?
Yes, KEHONG BIO provides custom synthesis services for RefChem:214381 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.