![4-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid structure](/static/products/5728/5728-44-9.webp)
4-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid
TL;DR: 4-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid (CAS 5728-44-9) is a chemical compound with molecular formula C12H15NO6 and molecular weight 269.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid
Also Known As: Benaxibine, 2'-Cyano[1,1'-biphenyl]-4-carboxylic acid, 4-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid
| Molecular Formula | C12H15NO6 |
|---|---|
| Molecular Weight | 269.09 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.08994 |
| Heavy Atoms | 19 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 5728-44-9 |
|---|---|
| SMILES | C1[C@H]([C@@H]([C@H]([C@H](O1)NC2=CC=C(C=C2)C(=O)O)O)O)O |
| InChIKey | HLDUHCYBUVVDOT-YTWAJWBKSA-N |
Product Overview
4-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid (CAS 5728-44-9), with molecular formula C12H15NO6 and molecular weight 269.09 g/mol. IUPAC: 4-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid.
Chemical Property Profile of 4-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid
Property Insights of 4-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid
The XLogP value of -0.6 indicates that 4-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid. Following Lipinski's Rule of Five, 4-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid has 5 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 4-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid?
The CAS number of 4-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid is 5728-44-9.
What is the molecular formula of 4-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid?
The molecular formula of 4-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid is C12H15NO6.
What is the molecular weight of 4-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid?
The molecular weight of 4-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid is 269.09 g/mol.
Where can I buy 4-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid?
You can request a quote for 4-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.