7-((1,3-Dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonic acid
TL;DR: 7-((1,3-Dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonic acid (CAS 30128-32-6) is a chemical compound with molecular formula C14H13NO6S and molecular weight 323.04636 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-hydroxy-7-(3-oxobutanoylamino)naphthalene-1-sulfonic acid
Also Known As: 7-((1,3-Dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonic acid, 7-[ amino]-3-hydroxynaphthalene-1-sulphonicacid, 3-hydroxy-7-(3-oxobutanoylamino)naphthalene-1-sulfonic acid, 3-HYDROXY-7-(3-OXOBUTANAMIDO)NAPHTHALENE-1-SULFONIC ACID, 7-[(1,3-dioxobutyl)amino]-3-hydroxynaphthalene-1-sulphonic acid
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H13NO6S |
| Molecular Weight | 323.04636 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.04636 Da |
| Heavy Atoms | 22 |
| Complexity | 540.0 |
| SMILES | CC(=O)CC(=O)NC1=CC2=C(C=C(C=C2C=C1)O)S(=O)(=O)O |
| InChIKey | OXPHXVVDAJRNTR-UHFFFAOYSA-N |
Chemical Property Profile of 7-((1,3-Dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonic acid
Property Insights of 7-((1,3-Dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-((1,3-Dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonic acid. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-((1,3-Dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonic acid. Following Lipinski's Rule of Five, 7-((1,3-Dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonic acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 7-((1,3-Dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonic acid?
The CAS number of 7-((1,3-Dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonic acid is 30128-32-6.
What is the molecular formula of 7-((1,3-Dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonic acid?
The molecular formula of 7-((1,3-Dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonic acid is C14H13NO6S.
What is the molecular weight of 7-((1,3-Dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonic acid?
The molecular weight of 7-((1,3-Dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonic acid is 323.04636 g/mol.
Where can I buy 7-((1,3-Dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonic acid?
You can request a quote for 7-((1,3-Dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-((1,3-Dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonic acid?
Yes, CoreyChem provides custom synthesis services for 7-((1,3-Dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.