3-(4-溴苯甲酰)丙酸
TL;DR: 3-(4-溴苯甲酰)丙酸 (CAS 6340-79-0) 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.
3-(4-溴苯甲酰)丙酸
4-(4-bromophenyl)-4-oxobutanoic acid
Also Known As: 3-(4-Bromobenzoyl)propionic acid, 4-(4-Bromophenyl)-4-oxobutanoic acid, null, 3-(p-Bromobenzoyl)propionic acid, 3-(4-Bromobenzoyl)propionicAcid
| Molecular Formula | C10H9BrO3 |
|---|---|
| Molecular Weight | 255.97 g/mol |
| LogP | 2.1 |
| 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 | 219.0 |
Chemical Identifiers
| CAS Number | 6340-79-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CCC(=O)O)Br |
| InChIKey | ZODFRCZNTXLDDW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-溴苯甲酰)丙酸 (CAS 6340-79-0), with molecular formula C10H9BrO3 and molecular weight 255.97 g/mol. IUPAC: 4-(4-bromophenyl)-4-oxobutanoic acid.
Chemical Property Profile of 3-(4-溴苯甲酰)丙酸
Property Insights of 3-(4-溴苯甲酰)丙酸
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-溴苯甲酰)丙酸. With a topological polar surface area (TPSA) of 54.4 Ų, 3-(4-溴苯甲酰)丙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-溴苯甲酰)丙酸 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 3-(4-溴苯甲酰)丙酸?
The CAS number of 3-(4-溴苯甲酰)丙酸 is 6340-79-0.
What is the molecular formula of 3-(4-溴苯甲酰)丙酸?
The molecular formula of 3-(4-溴苯甲酰)丙酸 is C10H9BrO3.
What is the molecular weight of 3-(4-溴苯甲酰)丙酸?
The molecular weight of 3-(4-溴苯甲酰)丙酸 is 255.97 g/mol.
Where can I buy 3-(4-溴苯甲酰)丙酸?
You can request a quote for 3-(4-溴苯甲酰)丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-溴苯甲酰)丙酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-溴苯甲酰)丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.