Benzeneacetic acid, 2-(2-bromoacetyl)-
TL;DR: Benzeneacetic acid, 2-(2-bromoacetyl)- (CAS 114752-28-2) is a chemical compound with molecular formula C10H9BrO3 and molecular weight 255.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-bromoacetyl)phenyl]acetic acid
Also Known As: [2-(bromoacetyl)phenyl]acetic acid, Benzeneacetic acid, 2-(2-bromoacetyl)-, KST-1A0690, 2-[2-(2-bromoacetyl)phenyl]acetic Acid
| Molecular Formula | C10H9BrO3 |
|---|---|
| Molecular Weight | 255.97 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.97351 |
| Heavy Atoms | 14 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 114752-28-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC(=O)O)C(=O)CBr |
| InChIKey | HCZIJGBGEGKANY-UHFFFAOYSA-N |
Product Overview
Benzeneacetic acid, 2-(2-bromoacetyl)- (CAS 114752-28-2), with molecular formula C10H9BrO3 and molecular weight 255.97 g/mol. IUPAC: 2-[2-(2-bromoacetyl)phenyl]acetic acid.
Chemical Property Profile of Benzeneacetic acid, 2-(2-bromoacetyl)-
Property Insights of Benzeneacetic acid, 2-(2-bromoacetyl)-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, 2-(2-bromoacetyl)-. With a topological polar surface area (TPSA) of 54.4 Ų, Benzeneacetic acid, 2-(2-bromoacetyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, 2-(2-bromoacetyl)- 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, 2-(2-bromoacetyl)-?
The CAS number of Benzeneacetic acid, 2-(2-bromoacetyl)- is 114752-28-2.
What is the molecular formula of Benzeneacetic acid, 2-(2-bromoacetyl)-?
The molecular formula of Benzeneacetic acid, 2-(2-bromoacetyl)- is C10H9BrO3.
What is the molecular weight of Benzeneacetic acid, 2-(2-bromoacetyl)-?
The molecular weight of Benzeneacetic acid, 2-(2-bromoacetyl)- is 255.97 g/mol.
Where can I buy Benzeneacetic acid, 2-(2-bromoacetyl)-?
You can request a quote for Benzeneacetic acid, 2-(2-bromoacetyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 2-(2-bromoacetyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 2-(2-bromoacetyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.