Benzenesulfonic acid, 3-((1,3-dioxobutyl)amino)-4-methoxy-
TL;DR: Benzenesulfonic acid, 3-((1,3-dioxobutyl)amino)-4-methoxy- (CAS 6375-00-4) is a chemical compound with molecular formula C11H13NO6S and molecular weight 287.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-3-(3-oxobutanoylamino)benzenesulfonic acid
Also Known As: Benzenesulfonic acid, 3-[(1,3-dioxobutyl)amino]-4-methoxy-, 3-Acetoacetamido-4-methoxybenzenesulfonic acid, 4-methoxy-3-(3-oxobutanoylamino)benzenesulfonic acid, Acetoacetic-2-methoxy-5-sulfonicacidanilide, acetoacetic-2-methoxy-5-sulfonic acidanilide
| Molecular Formula | C11H13NO6S |
|---|---|
| Molecular Weight | 287.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.04636 |
| Heavy Atoms | 19 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 6375-00-4 |
|---|---|
| SMILES | CC(=O)CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)O)OC |
| InChIKey | ODRQFTFZXVRPDA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonic acid, 3-((1,3-dioxobutyl)amino)-4-methoxy- (CAS 6375-00-4), with molecular formula C11H13NO6S and molecular weight 287.05 g/mol. IUPAC: 4-methoxy-3-(3-oxobutanoylamino)benzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, 3-((1,3-dioxobutyl)amino)-4-methoxy-
Property Insights of Benzenesulfonic acid, 3-((1,3-dioxobutyl)amino)-4-methoxy-
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 3-((1,3-dioxobutyl)amino)-4-methoxy-. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 3-((1,3-dioxobutyl)amino)-4-methoxy-. Following Lipinski's Rule of Five, Benzenesulfonic acid, 3-((1,3-dioxobutyl)amino)-4-methoxy- 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 Benzenesulfonic acid, 3-((1,3-dioxobutyl)amino)-4-methoxy-?
The CAS number of Benzenesulfonic acid, 3-((1,3-dioxobutyl)amino)-4-methoxy- is 6375-00-4.
What is the molecular formula of Benzenesulfonic acid, 3-((1,3-dioxobutyl)amino)-4-methoxy-?
The molecular formula of Benzenesulfonic acid, 3-((1,3-dioxobutyl)amino)-4-methoxy- is C11H13NO6S.
What is the molecular weight of Benzenesulfonic acid, 3-((1,3-dioxobutyl)amino)-4-methoxy-?
The molecular weight of Benzenesulfonic acid, 3-((1,3-dioxobutyl)amino)-4-methoxy- is 287.05 g/mol.
Where can I buy Benzenesulfonic acid, 3-((1,3-dioxobutyl)amino)-4-methoxy-?
You can request a quote for Benzenesulfonic acid, 3-((1,3-dioxobutyl)amino)-4-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 3-((1,3-dioxobutyl)amino)-4-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 3-((1,3-dioxobutyl)amino)-4-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.