![Benzenesulfonic acid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl- structure](/static/products/6259/62592-39-6.webp)
Benzenesulfonic acid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl-
TL;DR: Benzenesulfonic acid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl- (CAS 62592-39-6) is a chemical compound with molecular formula C12H15NO6S and molecular weight 301.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-2-methyl-4-(3-oxobutanoylamino)benzenesulfonic acid
Also Known As: Acetoacet-p-cresidinesulfonic acid, Benzenesulfonic acid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl-, 5-methoxy-2-methyl-4-(3-oxobutanoylamino)benzenesulfonic acid, 4-(acetoacetylamino)-5-methoxy-2-methylbenzenesulfonic acid, Benzenesulfonic acid, 4-((1,3-dioxobutyl)amino)-5-methoxy-2-methyl-
| Molecular Formula | C12H15NO6S |
|---|---|
| Molecular Weight | 301.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.062 |
| Heavy Atoms | 20 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 62592-39-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1S(=O)(=O)O)OC)NC(=O)CC(=O)C |
| InChIKey | YTSYXEDYBAQECZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonic acid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl- (CAS 62592-39-6), with molecular formula C12H15NO6S and molecular weight 301.06 g/mol. IUPAC: 5-methoxy-2-methyl-4-(3-oxobutanoylamino)benzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl-
Property Insights of Benzenesulfonic acid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl-. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl-. Following Lipinski's Rule of Five, Benzenesulfonic acid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl- 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, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl-?
The CAS number of Benzenesulfonic acid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl- is 62592-39-6.
What is the molecular formula of Benzenesulfonic acid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl-?
The molecular formula of Benzenesulfonic acid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl- is C12H15NO6S.
What is the molecular weight of Benzenesulfonic acid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl-?
The molecular weight of Benzenesulfonic acid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl- is 301.06 g/mol.
Where can I buy Benzenesulfonic acid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl-?
You can request a quote for Benzenesulfonic acid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.