N-乙酰半乳糖胺4-硫酸酯
TL;DR: N-乙酰半乳糖胺4-硫酸酯 (CAS 45233-43-0) is a chemical compound with molecular formula C8H15NO9S and molecular weight 301.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-乙酰半乳糖胺4-硫酸酯
[(2R,3R,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl] hydrogen sulfate
Also Known As: 4-SO4-GalNAc, N-Acetylgalactosamine 4-sulfate, N-Acetyl-D-galactosamine 4-sulfate, n-acetyl-d-galactosamine-4-sulfate, N-Acetyl-4-O-sulfo-D-galactosamine
| Molecular Formula | C8H15NO9S |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | -3.8 |
| Topological Polar Surface Area | 179.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 301.04675 |
| Heavy Atoms | 19 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 45233-43-0 |
|---|---|
| SMILES | CC(=O)N[C@@H](C=O)[C@H]([C@H]([C@@H](CO)O)OS(=O)(=O)O)O |
| InChIKey | RKFMAQNDSSSRTH-OSMVPFSASA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-乙酰半乳糖胺4-硫酸酯 (CAS 45233-43-0), with molecular formula C8H15NO9S and molecular weight 301.05 g/mol. IUPAC: [(2R,3R,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl] hydrogen sulfate.
Chemical Property Profile of N-乙酰半乳糖胺4-硫酸酯
Property Insights of N-乙酰半乳糖胺4-硫酸酯
The XLogP value of -3.8 indicates that N-乙酰半乳糖胺4-硫酸酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 179.0 Ų indicates high polarity, suggesting N-乙酰半乳糖胺4-硫酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-乙酰半乳糖胺4-硫酸酯 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-乙酰半乳糖胺4-硫酸酯?
The CAS number of N-乙酰半乳糖胺4-硫酸酯 is 45233-43-0.
What is the molecular formula of N-乙酰半乳糖胺4-硫酸酯?
The molecular formula of N-乙酰半乳糖胺4-硫酸酯 is C8H15NO9S.
What is the molecular weight of N-乙酰半乳糖胺4-硫酸酯?
The molecular weight of N-乙酰半乳糖胺4-硫酸酯 is 301.05 g/mol.
Where can I buy N-乙酰半乳糖胺4-硫酸酯?
You can request a quote for N-乙酰半乳糖胺4-硫酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-乙酰半乳糖胺4-硫酸酯?
Yes, KEHONG BIO provides custom synthesis services for N-乙酰半乳糖胺4-硫酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.