α-溴代苯丁酸
TL;DR: α-溴代苯丁酸 (CAS 16503-46-1) is a chemical compound with molecular formula C10H11BrO2 and molecular weight 241.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
α-溴代苯丁酸
2-bromo-4-phenylbutanoic acid
Also Known As: 2-bromo-4-phenylbutanoic acid, 2-Bromo-4-phenylbutyric acid, benzyl3-bromopropanoate, 2-Bromo-4-phenylbutanoicacid, Benzenebutanoic acid, alpha-bromo-
| Molecular Formula | C10H11BrO2 |
|---|---|
| Molecular Weight | 241.99 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.99425 |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 16503-46-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(C(=O)O)Br |
| InChIKey | DJQJKQPODCNTSE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
α-溴代苯丁酸 (CAS 16503-46-1), with molecular formula C10H11BrO2 and molecular weight 241.99 g/mol. IUPAC: 2-bromo-4-phenylbutanoic acid.
Chemical Property Profile of α-溴代苯丁酸
Property Insights of α-溴代苯丁酸
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for α-溴代苯丁酸. With a topological polar surface area (TPSA) of 37.3 Ų, α-溴代苯丁酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, α-溴代苯丁酸 has 1 hydrogen bond donor(s) and 2 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 α-溴代苯丁酸?
The CAS number of α-溴代苯丁酸 is 16503-46-1.
What is the molecular formula of α-溴代苯丁酸?
The molecular formula of α-溴代苯丁酸 is C10H11BrO2.
What is the molecular weight of α-溴代苯丁酸?
The molecular weight of α-溴代苯丁酸 is 241.99 g/mol.
Where can I buy α-溴代苯丁酸?
You can request a quote for α-溴代苯丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α-溴代苯丁酸?
Yes, KEHONG BIO provides custom synthesis services for α-溴代苯丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.