5-Bromo-4-chloro-3-indolyl-alpha-D-N-acetylneuraminic acid methyl ester
TL;DR: 5-Bromo-4-chloro-3-indolyl-alpha-D-N-acetylneuraminic acid methyl ester (CAS 1037565-81-3) is a chemical compound with molecular formula C20H24BrClN2O9 and molecular weight 550.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-acetamido-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate
Also Known As: 5-Bromo-4-chloro-3-indolyl-alpha-D-N-acetylneuraminic acid methyl ester, methyl 5-acetamido-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate
| Molecular Formula | C20H24BrClN2O9 |
|---|---|
| Molecular Weight | 550.04 g/mol |
| LogP | 0.2005 |
| Topological Polar Surface Area | 170.57 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 550.0354 |
| Heavy Atoms | 33 |
| Complexity | 1034.3743 |
Chemical Identifiers
| CAS Number | 1037565-81-3 |
|---|---|
| SMILES | CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)OC)OC2=CNC3=C2C(=C(C=C3)Br)Cl)O |
Product Overview
5-Bromo-4-chloro-3-indolyl-alpha-D-N-acetylneuraminic acid methyl ester (CAS 1037565-81-3), with molecular formula C20H24BrClN2O9 and molecular weight 550.04 g/mol. IUPAC: methyl 5-acetamido-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate.
Chemical Property Profile of 5-Bromo-4-chloro-3-indolyl-alpha-D-N-acetylneuraminic acid methyl ester
Property Insights of 5-Bromo-4-chloro-3-indolyl-alpha-D-N-acetylneuraminic acid methyl ester
The XLogP value of 0.2005 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-4-chloro-3-indolyl-alpha-D-N-acetylneuraminic acid methyl ester. The TPSA of 170.57 Ų indicates high polarity, suggesting 5-Bromo-4-chloro-3-indolyl-alpha-D-N-acetylneuraminic acid methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Bromo-4-chloro-3-indolyl-alpha-D-N-acetylneuraminic acid methyl ester has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Bromo-4-chloro-3-indolyl-alpha-D-N-acetylneuraminic acid methyl ester?
The CAS number of 5-Bromo-4-chloro-3-indolyl-alpha-D-N-acetylneuraminic acid methyl ester is 1037565-81-3.
What is the molecular formula of 5-Bromo-4-chloro-3-indolyl-alpha-D-N-acetylneuraminic acid methyl ester?
The molecular formula of 5-Bromo-4-chloro-3-indolyl-alpha-D-N-acetylneuraminic acid methyl ester is C20H24BrClN2O9.
What is the molecular weight of 5-Bromo-4-chloro-3-indolyl-alpha-D-N-acetylneuraminic acid methyl ester?
The molecular weight of 5-Bromo-4-chloro-3-indolyl-alpha-D-N-acetylneuraminic acid methyl ester is 550.04 g/mol.
Where can I buy 5-Bromo-4-chloro-3-indolyl-alpha-D-N-acetylneuraminic acid methyl ester?
You can request a quote for 5-Bromo-4-chloro-3-indolyl-alpha-D-N-acetylneuraminic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-4-chloro-3-indolyl-alpha-D-N-acetylneuraminic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-4-chloro-3-indolyl-alpha-D-N-acetylneuraminic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.