3-(((2S,3R,4R,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)amino)benzoic acid
TL;DR: 3-(((2S,3R,4R,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)amino)benzoic acid (CAS 328241-63-0) 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.
3-[[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid
Also Known As: d-Arabinosamine, N-(3-carboxyphenyl)-, 3-[[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid, 3-(((2S,3R,4R,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)amino)benzoic acid
| Molecular Formula | C12H15NO6 |
|---|---|
| Molecular Weight | 269.09 g/mol |
| LogP | -0.7643 |
| Topological Polar Surface Area | 119.25 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.08994 |
| Heavy Atoms | 19 |
| Complexity | 465.28775 |
Chemical Identifiers
| CAS Number | 328241-63-0 |
|---|---|
| SMILES | C1[C@H]([C@H]([C@H]([C@H](O1)NC2=CC=CC(=C2)C(=O)O)O)O)O |
Product Overview
3-(((2S,3R,4R,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)amino)benzoic acid (CAS 328241-63-0), with molecular formula C12H15NO6 and molecular weight 269.09 g/mol. IUPAC: 3-[[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid.
Chemical Property Profile of 3-(((2S,3R,4R,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)amino)benzoic acid
Property Insights of 3-(((2S,3R,4R,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)amino)benzoic acid
The XLogP value of -0.7643 indicates that 3-(((2S,3R,4R,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)amino)benzoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 119.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(((2S,3R,4R,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)amino)benzoic acid. Following Lipinski's Rule of Five, 3-(((2S,3R,4R,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)amino)benzoic acid has 5 hydrogen bond donor(s) and 6 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 3-(((2S,3R,4R,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)amino)benzoic acid?
The CAS number of 3-(((2S,3R,4R,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)amino)benzoic acid is 328241-63-0.
What is the molecular formula of 3-(((2S,3R,4R,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)amino)benzoic acid?
The molecular formula of 3-(((2S,3R,4R,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)amino)benzoic acid is C12H15NO6.
What is the molecular weight of 3-(((2S,3R,4R,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)amino)benzoic acid?
The molecular weight of 3-(((2S,3R,4R,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)amino)benzoic acid is 269.09 g/mol.
Where can I buy 3-(((2S,3R,4R,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)amino)benzoic acid?
You can request a quote for 3-(((2S,3R,4R,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-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 3-(((2S,3R,4R,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(((2S,3R,4R,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.