对溴苯氧乙酸
TL;DR: 对溴苯氧乙酸 (CAS 1878-91-7) is a chemical compound with molecular formula C8H7BrO3 and molecular weight 229.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对溴苯氧乙酸
2-(4-bromophenoxy)acetic acid
Also Known As: 4-Bromophenoxyacetic acid, 2-(4-bromophenoxy)acetic acid, (4-Bromophenoxy)acetic acid, p-Bromophenoxyacetic acid, p-Bromophenoxyacetate
| Molecular Formula | C8H7BrO3 |
|---|---|
| Molecular Weight | 229.96 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.95786 |
| Heavy Atoms | 12 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 1878-91-7 |
|---|---|
| SMILES | C1=CC(=CC=C1OCC(=O)O)Br |
| InChIKey | SZEBGAQWWSUOHT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对溴苯氧乙酸 (CAS 1878-91-7), with molecular formula C8H7BrO3 and molecular weight 229.96 g/mol. IUPAC: 2-(4-bromophenoxy)acetic acid.
Chemical Property Profile of 对溴苯氧乙酸
Property Insights of 对溴苯氧乙酸
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 对溴苯氧乙酸. With a topological polar surface area (TPSA) of 46.5 Ų, 对溴苯氧乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对溴苯氧乙酸 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 对溴苯氧乙酸?
The CAS number of 对溴苯氧乙酸 is 1878-91-7.
What is the molecular formula of 对溴苯氧乙酸?
The molecular formula of 对溴苯氧乙酸 is C8H7BrO3.
What is the molecular weight of 对溴苯氧乙酸?
The molecular weight of 对溴苯氧乙酸 is 229.96 g/mol.
Where can I buy 对溴苯氧乙酸?
You can request a quote for 对溴苯氧乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对溴苯氧乙酸?
Yes, KEHONG BIO provides custom synthesis services for 对溴苯氧乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.