(2S,4S,5R,6R)-5-acetamido-2-((5-bromo-4-chloro-1H-indol-3-yl)oxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid
TL;DR: (2S,4S,5R,6R)-5-acetamido-2-((5-bromo-4-chloro-1H-indol-3-yl)oxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid (CAS 153248-52-3) is a chemical compound with molecular formula C19H22BrClN2O9 and molecular weight 536.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetamido-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
Also Known As: (2S,4S,5R,6R)-5-acetamido-2-((5-bromo-4-chloro-1H-indol-3-yl)oxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid, 5-acetamido-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
| Molecular Formula | C19H22BrClN2O9 |
|---|---|
| Molecular Weight | 536.02 g/mol |
| LogP | 0.1121 |
| Topological Polar Surface Area | 181.57 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 536.0197 |
| Heavy Atoms | 32 |
| Complexity | 1018.08997 |
Chemical Identifiers
| CAS Number | 153248-52-3 |
|---|---|
| SMILES | CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OC2=CNC3=C2C(=C(C=C3)Br)Cl)O |
Product Overview
(2S,4S,5R,6R)-5-acetamido-2-((5-bromo-4-chloro-1H-indol-3-yl)oxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid (CAS 153248-52-3), with molecular formula C19H22BrClN2O9 and molecular weight 536.02 g/mol. IUPAC: 5-acetamido-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid.
Chemical Property Profile of (2S,4S,5R,6R)-5-acetamido-2-((5-bromo-4-chloro-1H-indol-3-yl)oxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid
Property Insights of (2S,4S,5R,6R)-5-acetamido-2-((5-bromo-4-chloro-1H-indol-3-yl)oxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid
The XLogP value of 0.1121 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,4S,5R,6R)-5-acetamido-2-((5-bromo-4-chloro-1H-indol-3-yl)oxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid. The TPSA of 181.57 Ų indicates high polarity, suggesting (2S,4S,5R,6R)-5-acetamido-2-((5-bromo-4-chloro-1H-indol-3-yl)oxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2S,4S,5R,6R)-5-acetamido-2-((5-bromo-4-chloro-1H-indol-3-yl)oxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid has 7 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2S,4S,5R,6R)-5-acetamido-2-((5-bromo-4-chloro-1H-indol-3-yl)oxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid?
The CAS number of (2S,4S,5R,6R)-5-acetamido-2-((5-bromo-4-chloro-1H-indol-3-yl)oxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid is 153248-52-3.
What is the molecular formula of (2S,4S,5R,6R)-5-acetamido-2-((5-bromo-4-chloro-1H-indol-3-yl)oxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid?
The molecular formula of (2S,4S,5R,6R)-5-acetamido-2-((5-bromo-4-chloro-1H-indol-3-yl)oxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid is C19H22BrClN2O9.
What is the molecular weight of (2S,4S,5R,6R)-5-acetamido-2-((5-bromo-4-chloro-1H-indol-3-yl)oxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid?
The molecular weight of (2S,4S,5R,6R)-5-acetamido-2-((5-bromo-4-chloro-1H-indol-3-yl)oxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid is 536.02 g/mol.
Where can I buy (2S,4S,5R,6R)-5-acetamido-2-((5-bromo-4-chloro-1H-indol-3-yl)oxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid?
You can request a quote for (2S,4S,5R,6R)-5-acetamido-2-((5-bromo-4-chloro-1H-indol-3-yl)oxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,4S,5R,6R)-5-acetamido-2-((5-bromo-4-chloro-1H-indol-3-yl)oxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S,4S,5R,6R)-5-acetamido-2-((5-bromo-4-chloro-1H-indol-3-yl)oxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.