硫酸-1-萘酯
TL;DR: 硫酸-1-萘酯 (CAS 3197-94-2) is a chemical compound with molecular formula C10H8O4S and molecular weight 224.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫酸-1-萘酯
naphthalen-1-yl hydrogen sulfate
Also Known As: 1-Naphthyl sulfate, Naphthyl sulfate, Naphthyl sulphate, naphthylsulfate, 1-Naphthol sulfate ester
| Molecular Formula | C10H8O4S |
|---|---|
| Molecular Weight | 224.01 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.01433 |
| Heavy Atoms | 15 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 3197-94-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2OS(=O)(=O)O |
| InChIKey | FVMQKVNBLZGWAH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫酸-1-萘酯 (CAS 3197-94-2), with molecular formula C10H8O4S and molecular weight 224.01 g/mol. IUPAC: naphthalen-1-yl hydrogen sulfate.
Chemical Property Profile of 硫酸-1-萘酯
Property Insights of 硫酸-1-萘酯
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫酸-1-萘酯. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 硫酸-1-萘酯. Following Lipinski's Rule of Five, 硫酸-1-萘酯 has 1 hydrogen bond donor(s) and 4 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 硫酸-1-萘酯?
The CAS number of 硫酸-1-萘酯 is 3197-94-2.
What is the molecular formula of 硫酸-1-萘酯?
The molecular formula of 硫酸-1-萘酯 is C10H8O4S.
What is the molecular weight of 硫酸-1-萘酯?
The molecular weight of 硫酸-1-萘酯 is 224.01 g/mol.
Where can I buy 硫酸-1-萘酯?
You can request a quote for 硫酸-1-萘酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫酸-1-萘酯?
Yes, KEHONG BIO provides custom synthesis services for 硫酸-1-萘酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.