![Benzenesulfonic acid, 2,5-bis[(1,3-dioxobutyl)amino]- structure](/static/products/7018/70185-87-4.webp)
Benzenesulfonic acid, 2,5-bis[(1,3-dioxobutyl)amino]-
TL;DR: Benzenesulfonic acid, 2,5-bis[(1,3-dioxobutyl)amino]- (CAS 70185-87-4) is a chemical compound with molecular formula C14H16N2O7S and molecular weight 356.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-bis(3-oxobutanoylamino)benzenesulfonic acid
Also Known As: Phosazetim, BAPA, Bis Acetoacet Paramine Acid, 2,5-bis(3-oxobutanoylamino)benzenesulfonic acid, 2,5-Diacetoacetamidobenzenesulfonic acid
| Molecular Formula | C14H16N2O7S |
|---|---|
| Molecular Weight | 356.07 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 356.0678 |
| Heavy Atoms | 24 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 70185-87-4 |
|---|---|
| SMILES | CC(=O)CC(=O)NC1=CC(=C(C=C1)NC(=O)CC(=O)C)S(=O)(=O)O |
| InChIKey | DIOSHTLNZVXJOF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonic acid, 2,5-bis[(1,3-dioxobutyl)amino]- (CAS 70185-87-4), with molecular formula C14H16N2O7S and molecular weight 356.07 g/mol. IUPAC: 2,5-bis(3-oxobutanoylamino)benzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, 2,5-bis[(1,3-dioxobutyl)amino]-
Property Insights of Benzenesulfonic acid, 2,5-bis[(1,3-dioxobutyl)amino]-
The XLogP value of -0.2 indicates that Benzenesulfonic acid, 2,5-bis[(1,3-dioxobutyl)amino]- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.0 Ų indicates high polarity, suggesting Benzenesulfonic acid, 2,5-bis[(1,3-dioxobutyl)amino]- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenesulfonic acid, 2,5-bis[(1,3-dioxobutyl)amino]- has 3 hydrogen bond donor(s) and 7 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, 2,5-bis[(1,3-dioxobutyl)amino]-?
The CAS number of Benzenesulfonic acid, 2,5-bis[(1,3-dioxobutyl)amino]- is 70185-87-4.
What is the molecular formula of Benzenesulfonic acid, 2,5-bis[(1,3-dioxobutyl)amino]-?
The molecular formula of Benzenesulfonic acid, 2,5-bis[(1,3-dioxobutyl)amino]- is C14H16N2O7S.
What is the molecular weight of Benzenesulfonic acid, 2,5-bis[(1,3-dioxobutyl)amino]-?
The molecular weight of Benzenesulfonic acid, 2,5-bis[(1,3-dioxobutyl)amino]- is 356.07 g/mol.
Where can I buy Benzenesulfonic acid, 2,5-bis[(1,3-dioxobutyl)amino]-?
You can request a quote for Benzenesulfonic acid, 2,5-bis[(1,3-dioxobutyl)amino]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 2,5-bis[(1,3-dioxobutyl)amino]-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 2,5-bis[(1,3-dioxobutyl)amino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.