2-(4-溴-1-萘基)乙酸
TL;DR: 2-(4-溴-1-萘基)乙酸 (CAS 5438-74-4) is a chemical compound with molecular formula C12H9BrO2 and molecular weight 263.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-溴-1-萘基)乙酸
2-(4-bromonaphthalen-1-yl)acetic acid
Also Known As: 2-(4-bromonaphthalen-1-yl)acetic acid, 4-Bromo-1-naphthaleneacetic acid, 4-Bromonaphthyl acetic acid, 1-NAPHTHALENEACETIC ACID, 4-BROMO-, 4-Bromonaphth-1-ylacetic acid
| Molecular Formula | C12H9BrO2 |
|---|---|
| Molecular Weight | 263.98 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.97858 |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 5438-74-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC=C2Br)CC(=O)O |
| InChIKey | VIMWRMDQHHYVOY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-溴-1-萘基)乙酸 (CAS 5438-74-4), with molecular formula C12H9BrO2 and molecular weight 263.98 g/mol. IUPAC: 2-(4-bromonaphthalen-1-yl)acetic acid.
Chemical Property Profile of 2-(4-溴-1-萘基)乙酸
Property Insights of 2-(4-溴-1-萘基)乙酸
The XLogP value of 3.3 indicates that 2-(4-溴-1-萘基)乙酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-(4-溴-1-萘基)乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-溴-1-萘基)乙酸 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 2-(4-溴-1-萘基)乙酸?
The CAS number of 2-(4-溴-1-萘基)乙酸 is 5438-74-4.
What is the molecular formula of 2-(4-溴-1-萘基)乙酸?
The molecular formula of 2-(4-溴-1-萘基)乙酸 is C12H9BrO2.
What is the molecular weight of 2-(4-溴-1-萘基)乙酸?
The molecular weight of 2-(4-溴-1-萘基)乙酸 is 263.98 g/mol.
Where can I buy 2-(4-溴-1-萘基)乙酸?
You can request a quote for 2-(4-溴-1-萘基)乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-溴-1-萘基)乙酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-溴-1-萘基)乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.