4-Benzoyl-phthalsaeure
TL;DR: 4-Benzoyl-phthalsaeure (CAS 38850-01-0) is a chemical compound with molecular formula C16H14N4O8S and molecular weight 422.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]-2-hydroxy-5-nitrobenzenesulfonic acid
Also Known As: 4-Benzoyl-phthalsaeure, Benzenesulfonic acid, 2-hydroxy-5-nitro-3-((2-oxo-1-((phenylamino)carbonyl)propyl)azo)-, Benzenesulfonic acid, 2-hydroxy-5-nitro-3-(2-(2-oxo-1-((phenylamino)carbonyl)propyl)diazenyl)-, Benzenesulfonic acid, 2-hydroxy-3-((2-hydroxy-1-((phenylamino)carbonyl)-1-propenyl)azo)-5-nitro-, Benzenesulfonic acid, 2-hydroxy-5-nitro-3-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]-
| Molecular Formula | C16H14N4O8S |
|---|---|
| Molecular Weight | 422.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 200.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.05322 |
| Heavy Atoms | 29 |
| Complexity | 754.0 |
Chemical Identifiers
| CAS Number | 38850-01-0 |
|---|---|
| SMILES | CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=C(C(=CC(=C2)[N+](=O)[O-])S(=O)(=O)O)O |
| InChIKey | WPZBEKVKMIOWDO-UHFFFAOYSA-N |
Product Overview
4-Benzoyl-phthalsaeure (CAS 38850-01-0), with molecular formula C16H14N4O8S and molecular weight 422.05 g/mol. IUPAC: 3-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]-2-hydroxy-5-nitrobenzenesulfonic acid.
Chemical Property Profile of 4-Benzoyl-phthalsaeure
Property Insights of 4-Benzoyl-phthalsaeure
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzoyl-phthalsaeure. The TPSA of 200.0 Ų indicates high polarity, suggesting 4-Benzoyl-phthalsaeure may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Benzoyl-phthalsaeure has 3 hydrogen bond donor(s) and 10 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-Benzoyl-phthalsaeure?
The CAS number of 4-Benzoyl-phthalsaeure is 38850-01-0.
What is the molecular formula of 4-Benzoyl-phthalsaeure?
The molecular formula of 4-Benzoyl-phthalsaeure is C16H14N4O8S.
What is the molecular weight of 4-Benzoyl-phthalsaeure?
The molecular weight of 4-Benzoyl-phthalsaeure is 422.05 g/mol.
Where can I buy 4-Benzoyl-phthalsaeure?
You can request a quote for 4-Benzoyl-phthalsaeure directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzoyl-phthalsaeure?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzoyl-phthalsaeure and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.