2-溴肉桂酸
TL;DR: 2-溴肉桂酸 (CAS 20595-39-5) is a chemical compound with molecular formula C9H7BrO2 and molecular weight 225.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-溴肉桂酸
(E)-3-(2-bromophenyl)prop-2-enoic acid
Also Known As: 2-Bromocinnamic acid, trans-2-Bromocinnamic acid, 3-(2-Bromophenyl)acrylic acid, o-Bromocinnamic acid, o-Bromzimtsaure
| Molecular Formula | C9H7BrO2 |
|---|---|
| Molecular Weight | 225.96 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.96294 |
| Heavy Atoms | 12 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 20595-39-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C/C(=O)O)Br |
| InChIKey | OMHDOOAFLCMRFX-AATRIKPKSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-溴肉桂酸 (CAS 20595-39-5), with molecular formula C9H7BrO2 and molecular weight 225.96 g/mol. IUPAC: (E)-3-(2-bromophenyl)prop-2-enoic acid.
Chemical Property Profile of 2-溴肉桂酸
Property Insights of 2-溴肉桂酸
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-溴肉桂酸. With a topological polar surface area (TPSA) of 37.3 Ų, 2-溴肉桂酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-溴肉桂酸 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-溴肉桂酸?
The CAS number of 2-溴肉桂酸 is 20595-39-5.
What is the molecular formula of 2-溴肉桂酸?
The molecular formula of 2-溴肉桂酸 is C9H7BrO2.
What is the molecular weight of 2-溴肉桂酸?
The molecular weight of 2-溴肉桂酸 is 225.96 g/mol.
Where can I buy 2-溴肉桂酸?
You can request a quote for 2-溴肉桂酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-溴肉桂酸?
Yes, KEHONG BIO provides custom synthesis services for 2-溴肉桂酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.