Benzenebutanamide, 4-bromo-alpha,gamma-dioxo-N-2-thiazolyl-
TL;DR: Benzenebutanamide, 4-bromo-alpha,gamma-dioxo-N-2-thiazolyl- (CAS 130421-40-8) is a chemical compound with molecular formula C13H9BrN2O3S and molecular weight 351.95172 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-bromophenyl)-2,4-dioxo-N-(1,3-thiazol-2-yl)butanamide
Also Known As: Benzenebutanamide, 4-bromo-alpha,gamma-dioxo-N-2-thiazolyl-, 4-Bromo-alpha,gamma-dioxo-N-2-thiazolylbenzenebutanamide, 4-(4-bromophenyl)-2,4-dioxo-N-(1,3-thiazol-2-yl)butanamide, BRN 4755773
Technical Specifications
| Molecular Formula | C13H9BrN2O3S |
| Molecular Weight | 351.95172 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.95172 Da |
| Heavy Atoms | 20 |
| Complexity | 397.0 |
| SMILES | C1=CC(=CC=C1C(=O)CC(=O)C(=O)NC2=NC=CS2)Br |
| InChIKey | UAMAFWYDIAYRFR-UHFFFAOYSA-N |
Chemical Property Profile of Benzenebutanamide, 4-bromo-alpha,gamma-dioxo-N-2-thiazolyl-
Property Insights of Benzenebutanamide, 4-bromo-alpha,gamma-dioxo-N-2-thiazolyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenebutanamide, 4-bromo-alpha,gamma-dioxo-N-2-thiazolyl-. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenebutanamide, 4-bromo-alpha,gamma-dioxo-N-2-thiazolyl-. Following Lipinski's Rule of Five, Benzenebutanamide, 4-bromo-alpha,gamma-dioxo-N-2-thiazolyl- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzenebutanamide, 4-bromo-alpha,gamma-dioxo-N-2-thiazolyl-?
The CAS number of Benzenebutanamide, 4-bromo-alpha,gamma-dioxo-N-2-thiazolyl- is 130421-40-8.
What is the molecular formula of Benzenebutanamide, 4-bromo-alpha,gamma-dioxo-N-2-thiazolyl-?
The molecular formula of Benzenebutanamide, 4-bromo-alpha,gamma-dioxo-N-2-thiazolyl- is C13H9BrN2O3S.
What is the molecular weight of Benzenebutanamide, 4-bromo-alpha,gamma-dioxo-N-2-thiazolyl-?
The molecular weight of Benzenebutanamide, 4-bromo-alpha,gamma-dioxo-N-2-thiazolyl- is 351.95172 g/mol.
Where can I buy Benzenebutanamide, 4-bromo-alpha,gamma-dioxo-N-2-thiazolyl-?
You can request a quote for Benzenebutanamide, 4-bromo-alpha,gamma-dioxo-N-2-thiazolyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzenebutanamide, 4-bromo-alpha,gamma-dioxo-N-2-thiazolyl-?
Yes, CoreyChem provides custom synthesis services for Benzenebutanamide, 4-bromo-alpha,gamma-dioxo-N-2-thiazolyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.