C16H19BrN2O6
TL;DR: C16H19BrN2O6 (CAS 58225-98-2) is a chemical compound with molecular formula C16H19BrN2O6 and molecular weight 414.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(5-bromo-1H-indol-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Also Known As: 5-Bromo-3-indolyl N-acetyl-beta-d-glucosaminide, N-((2S,3R,4R,5S,6R)-2-((5-Bromo-1H-indol-3-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)acetamide, N-[2-[(5-bromo-1H-indol-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide, N-[(2S,3R,4R,5S,6R)-2-[(5-bromo-1H-indol-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide, N-[(2S,3R,4R,5S,6R)-2-[(5-Bromo-1H-indol-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
| Molecular Formula | C16H19BrN2O6 |
|---|---|
| Molecular Weight | 414.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.04266 |
| Heavy Atoms | 25 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 58225-98-2 |
|---|---|
| SMILES | CC(=O)NC1C(C(C(OC1OC2=CNC3=C2C=C(C=C3)Br)CO)O)O |
| InChIKey | NOTYWCXJODLOKJ-UHFFFAOYSA-N |
Product Overview
C16H19BrN2O6 (CAS 58225-98-2), with molecular formula C16H19BrN2O6 and molecular weight 414.04 g/mol. IUPAC: N-[2-[(5-bromo-1H-indol-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
Chemical Property Profile of C16H19BrN2O6
Property Insights of C16H19BrN2O6
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C16H19BrN2O6. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H19BrN2O6. Following Lipinski's Rule of Five, C16H19BrN2O6 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 C16H19BrN2O6?
The CAS number of C16H19BrN2O6 is 58225-98-2.
What is the molecular formula of C16H19BrN2O6?
The molecular formula of C16H19BrN2O6 is C16H19BrN2O6.
What is the molecular weight of C16H19BrN2O6?
The molecular weight of C16H19BrN2O6 is 414.04 g/mol.
Where can I buy C16H19BrN2O6?
You can request a quote for C16H19BrN2O6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H19BrN2O6?
Yes, KEHONG BIO provides custom synthesis services for C16H19BrN2O6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.