Benzenebutanamide, 4-chloro-alpha,gamma-dioxo-N-2-thiazolyl-
TL;DR: Benzenebutanamide, 4-chloro-alpha,gamma-dioxo-N-2-thiazolyl- (CAS 130421-41-9) is a chemical compound with molecular formula C13H9ClN2O3S and molecular weight 308.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-2,4-dioxo-N-(1,3-thiazol-2-yl)butanamide
Also Known As: Benzenebutanamide, 4-chloro-alpha,gamma-dioxo-N-2-thiazolyl-, 4-Chloro-alpha,gamma-dioxo-N-2-thiazolylbenzenebutanamide, 4-(4-chlorophenyl)-2,4-dioxo-N-(1,3-thiazol-2-yl)butanamide, BRN 4755772, RefChem:324368
| Molecular Formula | C13H9ClN2O3S |
|---|---|
| Molecular Weight | 308.00 g/mol |
| LogP | 2.5771 |
| Topological Polar Surface Area | 76.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.00223 |
| Heavy Atoms | 20 |
| Complexity | 638.1457 |
Chemical Identifiers
| CAS Number | 130421-41-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CC(=O)C(=O)NC2=NC=CS2)Cl |
Product Overview
Benzenebutanamide, 4-chloro-alpha,gamma-dioxo-N-2-thiazolyl- (CAS 130421-41-9), with molecular formula C13H9ClN2O3S and molecular weight 308.00 g/mol. IUPAC: 4-(4-chlorophenyl)-2,4-dioxo-N-(1,3-thiazol-2-yl)butanamide.
Chemical Property Profile of Benzenebutanamide, 4-chloro-alpha,gamma-dioxo-N-2-thiazolyl-
Property Insights of Benzenebutanamide, 4-chloro-alpha,gamma-dioxo-N-2-thiazolyl-
The XLogP value of 2.5771 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenebutanamide, 4-chloro-alpha,gamma-dioxo-N-2-thiazolyl-. The TPSA of 76.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenebutanamide, 4-chloro-alpha,gamma-dioxo-N-2-thiazolyl-. Following Lipinski's Rule of Five, Benzenebutanamide, 4-chloro-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
Frequently Asked Questions
What is the CAS number of Benzenebutanamide, 4-chloro-alpha,gamma-dioxo-N-2-thiazolyl-?
The CAS number of Benzenebutanamide, 4-chloro-alpha,gamma-dioxo-N-2-thiazolyl- is 130421-41-9.
What is the molecular formula of Benzenebutanamide, 4-chloro-alpha,gamma-dioxo-N-2-thiazolyl-?
The molecular formula of Benzenebutanamide, 4-chloro-alpha,gamma-dioxo-N-2-thiazolyl- is C13H9ClN2O3S.
What is the molecular weight of Benzenebutanamide, 4-chloro-alpha,gamma-dioxo-N-2-thiazolyl-?
The molecular weight of Benzenebutanamide, 4-chloro-alpha,gamma-dioxo-N-2-thiazolyl- is 308.00 g/mol.
Where can I buy Benzenebutanamide, 4-chloro-alpha,gamma-dioxo-N-2-thiazolyl-?
You can request a quote for Benzenebutanamide, 4-chloro-alpha,gamma-dioxo-N-2-thiazolyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenebutanamide, 4-chloro-alpha,gamma-dioxo-N-2-thiazolyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenebutanamide, 4-chloro-alpha,gamma-dioxo-N-2-thiazolyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.