4-苯甲酰基-4-溴丁酸
TL;DR: 4-苯甲酰基-4-溴丁酸 (CAS 39826-14-7) is a chemical compound with molecular formula C11H11BrO3 and molecular weight 269.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-苯甲酰基-4-溴丁酸
4-bromo-5-oxo-5-phenylpentanoic acid
Also Known As: 4-Benzoyl-4-bromobutyric acid, 4-Bromo-5-oxo-5-phenylpentanoic acid, 4-Bromo-4-benzoylbutyric acid, 4-Benzoyl-4-bromobutyricacid, 4-bromo-5-oxo-5-phenyl-valeric acid
| Molecular Formula | C11H11BrO3 |
|---|---|
| Molecular Weight | 269.99 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.98917 |
| Heavy Atoms | 15 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 39826-14-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C(CCC(=O)O)Br |
| InChIKey | VSRWEJNGQWEPPH-UHFFFAOYSA-N |
Product Overview
4-苯甲酰基-4-溴丁酸 (CAS 39826-14-7), with molecular formula C11H11BrO3 and molecular weight 269.99 g/mol. IUPAC: 4-bromo-5-oxo-5-phenylpentanoic acid.
Chemical Property Profile of 4-苯甲酰基-4-溴丁酸
Property Insights of 4-苯甲酰基-4-溴丁酸
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-苯甲酰基-4-溴丁酸. With a topological polar surface area (TPSA) of 54.4 Ų, 4-苯甲酰基-4-溴丁酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-苯甲酰基-4-溴丁酸 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 4-苯甲酰基-4-溴丁酸?
The CAS number of 4-苯甲酰基-4-溴丁酸 is 39826-14-7.
What is the molecular formula of 4-苯甲酰基-4-溴丁酸?
The molecular formula of 4-苯甲酰基-4-溴丁酸 is C11H11BrO3.
What is the molecular weight of 4-苯甲酰基-4-溴丁酸?
The molecular weight of 4-苯甲酰基-4-溴丁酸 is 269.99 g/mol.
Where can I buy 4-苯甲酰基-4-溴丁酸?
You can request a quote for 4-苯甲酰基-4-溴丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-苯甲酰基-4-溴丁酸?
Yes, KEHONG BIO provides custom synthesis services for 4-苯甲酰基-4-溴丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.