4-((1,3-Dioxobutyl)amino)naphthalene-1-sulphonic acid
TL;DR: 4-((1,3-Dioxobutyl)amino)naphthalene-1-sulphonic acid (CAS 68030-71-7) is a chemical compound with molecular formula C14H13NO5S and molecular weight 307.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-oxobutanoylamino)naphthalene-1-sulfonic acid
Also Known As: EINECS 268-207-0, 4-[ amino]naphthalene-1-sulphonicacid, 4-((1,3-Dioxobutyl)amino)naphthalene-1-sulphonic acid, 4-(3-oxobutanoylamino)naphthalene-1-sulfonic acid, 4-(3-OXOBUTANAMIDO)NAPHTHALENE-1-SULFONIC ACID
| Molecular Formula | C14H13NO5S |
|---|---|
| Molecular Weight | 307.05 g/mol |
| LogP | 2.0041 |
| Topological Polar Surface Area | 100.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.05145 |
| Heavy Atoms | 21 |
| Complexity | 826.3733 |
Chemical Identifiers
| CAS Number | 68030-71-7 |
|---|---|
| SMILES | CC(=O)CC(=O)NC1=CC=C(C2=CC=CC=C21)S(=O)(=O)O |
Product Overview
4-((1,3-Dioxobutyl)amino)naphthalene-1-sulphonic acid (CAS 68030-71-7), with molecular formula C14H13NO5S and molecular weight 307.05 g/mol. IUPAC: 4-(3-oxobutanoylamino)naphthalene-1-sulfonic acid.
Chemical Property Profile of 4-((1,3-Dioxobutyl)amino)naphthalene-1-sulphonic acid
Property Insights of 4-((1,3-Dioxobutyl)amino)naphthalene-1-sulphonic acid
The XLogP value of 2.0041 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((1,3-Dioxobutyl)amino)naphthalene-1-sulphonic acid. The TPSA of 100.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((1,3-Dioxobutyl)amino)naphthalene-1-sulphonic acid. Following Lipinski's Rule of Five, 4-((1,3-Dioxobutyl)amino)naphthalene-1-sulphonic acid has 2 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 4-((1,3-Dioxobutyl)amino)naphthalene-1-sulphonic acid?
The CAS number of 4-((1,3-Dioxobutyl)amino)naphthalene-1-sulphonic acid is 68030-71-7.
What is the molecular formula of 4-((1,3-Dioxobutyl)amino)naphthalene-1-sulphonic acid?
The molecular formula of 4-((1,3-Dioxobutyl)amino)naphthalene-1-sulphonic acid is C14H13NO5S.
What is the molecular weight of 4-((1,3-Dioxobutyl)amino)naphthalene-1-sulphonic acid?
The molecular weight of 4-((1,3-Dioxobutyl)amino)naphthalene-1-sulphonic acid is 307.05 g/mol.
Where can I buy 4-((1,3-Dioxobutyl)amino)naphthalene-1-sulphonic acid?
You can request a quote for 4-((1,3-Dioxobutyl)amino)naphthalene-1-sulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((1,3-Dioxobutyl)amino)naphthalene-1-sulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((1,3-Dioxobutyl)amino)naphthalene-1-sulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.