![4-[[(4-bromo-5-ethyl-thiophene-2-carbonyl)amino]carbamoyl]-3,3-dimethyl-butanoic Acid structure](/static/products/5886/588680-22-2.webp)
4-[[(4-bromo-5-ethyl-thiophene-2-carbonyl)amino]carbamoyl]-3,3-dimethyl-butanoic Acid
TL;DR: 4-[[(4-bromo-5-ethyl-thiophene-2-carbonyl)amino]carbamoyl]-3,3-dimethyl-butanoic Acid (CAS 588680-22-2) is a chemical compound with molecular formula C14H19BrN2O4S and molecular weight 390.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(4-bromo-5-ethylthiophene-2-carbonyl)hydrazinyl]-3,3-dimethyl-5-oxopentanoic acid
Also Known As: 4-[[(4-bromo-5-ethyl-thiophene-2-carbonyl)amino]carbamoyl]-3,3-dimethyl-butanoic Acid, 4-{N-[(4-bromo-5-ethyl(2-thienyl))carbonylamino]carbamoyl}-3,3-dimethylbutanoi c acid, 5-(2-(4-bromo-5-ethylthiophene-2-carbonyl)hydrazinyl)-3,3-dimethyl-5-oxopentanoic acid, 5-[2-(4-bromo-5-ethylthiophene-2-carbonyl)hydrazinyl]-3,3-dimethyl-5-oxopentanoic acid, 5-{2-[(4-bromo-5-ethylthiophen-2-yl)carbonyl]hydrazinyl}-3,3-dimethyl-5-oxopentanoic acid
| Molecular Formula | C14H19BrN2O4S |
|---|---|
| Molecular Weight | 390.02 g/mol |
| LogP | 2.725 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.0249 |
| Heavy Atoms | 22 |
| Complexity | 583.398 |
Chemical Identifiers
| CAS Number | 588680-22-2 |
|---|---|
| SMILES | CCC1=C(C=C(S1)C(=O)NNC(=O)CC(C)(C)CC(=O)O)Br |
Product Overview
4-[[(4-bromo-5-ethyl-thiophene-2-carbonyl)amino]carbamoyl]-3,3-dimethyl-butanoic Acid (CAS 588680-22-2), with molecular formula C14H19BrN2O4S and molecular weight 390.02 g/mol. IUPAC: 5-[2-(4-bromo-5-ethylthiophene-2-carbonyl)hydrazinyl]-3,3-dimethyl-5-oxopentanoic acid.
Chemical Property Profile of 4-[[(4-bromo-5-ethyl-thiophene-2-carbonyl)amino]carbamoyl]-3,3-dimethyl-butanoic Acid
Property Insights of 4-[[(4-bromo-5-ethyl-thiophene-2-carbonyl)amino]carbamoyl]-3,3-dimethyl-butanoic Acid
The XLogP value of 2.725 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[(4-bromo-5-ethyl-thiophene-2-carbonyl)amino]carbamoyl]-3,3-dimethyl-butanoic Acid. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[(4-bromo-5-ethyl-thiophene-2-carbonyl)amino]carbamoyl]-3,3-dimethyl-butanoic Acid. Following Lipinski's Rule of Five, 4-[[(4-bromo-5-ethyl-thiophene-2-carbonyl)amino]carbamoyl]-3,3-dimethyl-butanoic Acid has 3 hydrogen bond donor(s) and 4 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-[[(4-bromo-5-ethyl-thiophene-2-carbonyl)amino]carbamoyl]-3,3-dimethyl-butanoic Acid?
The CAS number of 4-[[(4-bromo-5-ethyl-thiophene-2-carbonyl)amino]carbamoyl]-3,3-dimethyl-butanoic Acid is 588680-22-2.
What is the molecular formula of 4-[[(4-bromo-5-ethyl-thiophene-2-carbonyl)amino]carbamoyl]-3,3-dimethyl-butanoic Acid?
The molecular formula of 4-[[(4-bromo-5-ethyl-thiophene-2-carbonyl)amino]carbamoyl]-3,3-dimethyl-butanoic Acid is C14H19BrN2O4S.
What is the molecular weight of 4-[[(4-bromo-5-ethyl-thiophene-2-carbonyl)amino]carbamoyl]-3,3-dimethyl-butanoic Acid?
The molecular weight of 4-[[(4-bromo-5-ethyl-thiophene-2-carbonyl)amino]carbamoyl]-3,3-dimethyl-butanoic Acid is 390.02 g/mol.
Where can I buy 4-[[(4-bromo-5-ethyl-thiophene-2-carbonyl)amino]carbamoyl]-3,3-dimethyl-butanoic Acid?
You can request a quote for 4-[[(4-bromo-5-ethyl-thiophene-2-carbonyl)amino]carbamoyl]-3,3-dimethyl-butanoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[(4-bromo-5-ethyl-thiophene-2-carbonyl)amino]carbamoyl]-3,3-dimethyl-butanoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[(4-bromo-5-ethyl-thiophene-2-carbonyl)amino]carbamoyl]-3,3-dimethyl-butanoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.