5-Acetamido-1-(acetyloxy)naphthalene-2-sulfonic acid
TL;DR: 5-Acetamido-1-(acetyloxy)naphthalene-2-sulfonic acid (CAS 72076-46-1) is a chemical compound with molecular formula C14H13NO6S and molecular weight 323.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetamido-1-acetyloxynaphthalene-2-sulfonic acid
Also Known As: 1-Acetoxy-5-acetylamino-2-naphthalenesulfonicacid, 5-acetamido-1-acetyloxynaphthalene-2-sulfonic acid, 1-acetoxy-5-acetaminonaphthalene-2-sulfonic acid, 5-Acetamido-1-(acetyloxy)naphthalene-2-sulfonic acid, 1-Acetoxy-5-acetylamino-2-naphthalenesulfonic acid
| Molecular Formula | C14H13NO6S |
|---|---|
| Molecular Weight | 323.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.04636 |
| Heavy Atoms | 22 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 72076-46-1 |
|---|---|
| SMILES | CC(=O)NC1=CC=CC2=C1C=CC(=C2OC(=O)C)S(=O)(=O)O |
| InChIKey | RYINRSWFVTYONC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Acetamido-1-(acetyloxy)naphthalene-2-sulfonic acid (CAS 72076-46-1), with molecular formula C14H13NO6S and molecular weight 323.05 g/mol. IUPAC: 5-acetamido-1-acetyloxynaphthalene-2-sulfonic acid.
Chemical Property Profile of 5-Acetamido-1-(acetyloxy)naphthalene-2-sulfonic acid
Property Insights of 5-Acetamido-1-(acetyloxy)naphthalene-2-sulfonic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetamido-1-(acetyloxy)naphthalene-2-sulfonic acid. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetamido-1-(acetyloxy)naphthalene-2-sulfonic acid. Following Lipinski's Rule of Five, 5-Acetamido-1-(acetyloxy)naphthalene-2-sulfonic acid has 2 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 5-Acetamido-1-(acetyloxy)naphthalene-2-sulfonic acid?
The CAS number of 5-Acetamido-1-(acetyloxy)naphthalene-2-sulfonic acid is 72076-46-1.
What is the molecular formula of 5-Acetamido-1-(acetyloxy)naphthalene-2-sulfonic acid?
The molecular formula of 5-Acetamido-1-(acetyloxy)naphthalene-2-sulfonic acid is C14H13NO6S.
What is the molecular weight of 5-Acetamido-1-(acetyloxy)naphthalene-2-sulfonic acid?
The molecular weight of 5-Acetamido-1-(acetyloxy)naphthalene-2-sulfonic acid is 323.05 g/mol.
Where can I buy 5-Acetamido-1-(acetyloxy)naphthalene-2-sulfonic acid?
You can request a quote for 5-Acetamido-1-(acetyloxy)naphthalene-2-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetamido-1-(acetyloxy)naphthalene-2-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetamido-1-(acetyloxy)naphthalene-2-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.