Benzeneacetic acid, 4-((5-bromo-2-thienyl)carbonyl)-alpha-methyl-
TL;DR: Benzeneacetic acid, 4-((5-bromo-2-thienyl)carbonyl)-alpha-methyl- (CAS 77614-39-2) is a chemical compound with molecular formula C14H11BrO3S and molecular weight 337.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(5-bromothiophene-2-carbonyl)phenyl]propanoic acid
Also Known As: 4-( -alpha-methylbenzeneaceticacid, 2-[4-(5-bromothiophene-2-carbonyl)phenyl]propanoic acid, 4-((5-Bromo-2-thienyl)carbonyl)-alpha-methylbenzeneacetic acid, Benzeneacetic acid, 4-((5-bromo-2-thienyl)carbonyl)-alpha-methyl-, RefChem:324150
| Molecular Formula | C14H11BrO3S |
|---|---|
| Molecular Weight | 337.96 g/mol |
| LogP | 3.9297 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.96124 |
| Heavy Atoms | 19 |
| Complexity | 615.8762 |
Chemical Identifiers
| CAS Number | 77614-39-2 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)C(=O)C2=CC=C(S2)Br)C(=O)O |
Product Overview
Benzeneacetic acid, 4-((5-bromo-2-thienyl)carbonyl)-alpha-methyl- (CAS 77614-39-2), with molecular formula C14H11BrO3S and molecular weight 337.96 g/mol. IUPAC: 2-[4-(5-bromothiophene-2-carbonyl)phenyl]propanoic acid.
Chemical Property Profile of Benzeneacetic acid, 4-((5-bromo-2-thienyl)carbonyl)-alpha-methyl-
Property Insights of Benzeneacetic acid, 4-((5-bromo-2-thienyl)carbonyl)-alpha-methyl-
The XLogP value of 3.9297 indicates that Benzeneacetic acid, 4-((5-bromo-2-thienyl)carbonyl)-alpha-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, Benzeneacetic acid, 4-((5-bromo-2-thienyl)carbonyl)-alpha-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, 4-((5-bromo-2-thienyl)carbonyl)-alpha-methyl- has 1 hydrogen bond donor(s) and 3 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 Benzeneacetic acid, 4-((5-bromo-2-thienyl)carbonyl)-alpha-methyl-?
The CAS number of Benzeneacetic acid, 4-((5-bromo-2-thienyl)carbonyl)-alpha-methyl- is 77614-39-2.
What is the molecular formula of Benzeneacetic acid, 4-((5-bromo-2-thienyl)carbonyl)-alpha-methyl-?
The molecular formula of Benzeneacetic acid, 4-((5-bromo-2-thienyl)carbonyl)-alpha-methyl- is C14H11BrO3S.
What is the molecular weight of Benzeneacetic acid, 4-((5-bromo-2-thienyl)carbonyl)-alpha-methyl-?
The molecular weight of Benzeneacetic acid, 4-((5-bromo-2-thienyl)carbonyl)-alpha-methyl- is 337.96 g/mol.
Where can I buy Benzeneacetic acid, 4-((5-bromo-2-thienyl)carbonyl)-alpha-methyl-?
You can request a quote for Benzeneacetic acid, 4-((5-bromo-2-thienyl)carbonyl)-alpha-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 4-((5-bromo-2-thienyl)carbonyl)-alpha-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 4-((5-bromo-2-thienyl)carbonyl)-alpha-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.