N-2-Carboxy-3 5 6-trichloropyridin-4-yl glucosamine
TL;DR: N-2-Carboxy-3 5 6-trichloropyridin-4-yl glucosamine (CAS 77750-03-9) is a chemical compound with molecular formula C12H13Cl3N2O7 and molecular weight 401.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
Also Known As: N-2-Carboxy-3 5 6-trichloropyridin-4-yl glucosamine, 1-O-(4-Amino-3,5,6-trichloropyridine-2-carbonyl)hexopyranose, beta-D-Glucopyranose, 1-(4-amino-3,5,6-trichloro-2-pyridinecarboxylate), 1-O-(4-Amino-3,5,6-trichloropyridine-2-carbonyl)-beta-D-glucopyranose, [(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 4-amino-3,5,6-trichloro-pyridine-2-carboxylate
| Molecular Formula | C12H13Cl3N2O7 |
|---|---|
| Molecular Weight | 401.98 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.97882 |
| Heavy Atoms | 24 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 77750-03-9 |
|---|---|
| SMILES | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C2=NC(=C(C(=C2Cl)N)Cl)Cl)O)O)O)O |
| InChIKey | YNATYRMEIPWDER-AUXRCTBOSA-N |
Product Overview
N-2-Carboxy-3 5 6-trichloropyridin-4-yl glucosamine (CAS 77750-03-9), with molecular formula C12H13Cl3N2O7 and molecular weight 401.98 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 4-amino-3,5,6-trichloropyridine-2-carboxylate.
Chemical Property Profile of N-2-Carboxy-3 5 6-trichloropyridin-4-yl glucosamine
Property Insights of N-2-Carboxy-3 5 6-trichloropyridin-4-yl glucosamine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-2-Carboxy-3 5 6-trichloropyridin-4-yl glucosamine. The TPSA of 155.0 Ų indicates high polarity, suggesting N-2-Carboxy-3 5 6-trichloropyridin-4-yl glucosamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-2-Carboxy-3 5 6-trichloropyridin-4-yl glucosamine has 5 hydrogen bond donor(s) and 9 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 N-2-Carboxy-3 5 6-trichloropyridin-4-yl glucosamine?
The CAS number of N-2-Carboxy-3 5 6-trichloropyridin-4-yl glucosamine is 77750-03-9.
What is the molecular formula of N-2-Carboxy-3 5 6-trichloropyridin-4-yl glucosamine?
The molecular formula of N-2-Carboxy-3 5 6-trichloropyridin-4-yl glucosamine is C12H13Cl3N2O7.
What is the molecular weight of N-2-Carboxy-3 5 6-trichloropyridin-4-yl glucosamine?
The molecular weight of N-2-Carboxy-3 5 6-trichloropyridin-4-yl glucosamine is 401.98 g/mol.
Where can I buy N-2-Carboxy-3 5 6-trichloropyridin-4-yl glucosamine?
You can request a quote for N-2-Carboxy-3 5 6-trichloropyridin-4-yl glucosamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-2-Carboxy-3 5 6-trichloropyridin-4-yl glucosamine?
Yes, KEHONG BIO provides custom synthesis services for N-2-Carboxy-3 5 6-trichloropyridin-4-yl glucosamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.