2-Propenoic acid, 3-bromo-3-phenyl-
TL;DR: 2-Propenoic acid, 3-bromo-3-phenyl- (CAS 704-78-9) 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.
3-bromo-3-phenylprop-2-enoic acid
Also Known As: BROMOCINNAMICACID, 3-Bromo-3-phenylacrylic acid, 2-Propenoic acid, 3-bromo-3-phenyl-, 3-bromo-3-phenylprop-2-enoic acid, 2-Propenoicacid,3-bromo-3-phenyl-
| Molecular Formula | C9H7BrO2 |
|---|---|
| Molecular Weight | 225.96 g/mol |
| LogP | 2.4 |
| 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 | 193.0 |
Chemical Identifiers
| CAS Number | 704-78-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=CC(=O)O)Br |
| InChIKey | UPZBDEYHZXRSBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic acid, 3-bromo-3-phenyl- (CAS 704-78-9), with molecular formula C9H7BrO2 and molecular weight 225.96 g/mol. IUPAC: 3-bromo-3-phenylprop-2-enoic acid.
Chemical Property Profile of 2-Propenoic acid, 3-bromo-3-phenyl-
Property Insights of 2-Propenoic acid, 3-bromo-3-phenyl-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 3-bromo-3-phenyl-. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Propenoic acid, 3-bromo-3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-bromo-3-phenyl- 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-Propenoic acid, 3-bromo-3-phenyl-?
The CAS number of 2-Propenoic acid, 3-bromo-3-phenyl- is 704-78-9.
What is the molecular formula of 2-Propenoic acid, 3-bromo-3-phenyl-?
The molecular formula of 2-Propenoic acid, 3-bromo-3-phenyl- is C9H7BrO2.
What is the molecular weight of 2-Propenoic acid, 3-bromo-3-phenyl-?
The molecular weight of 2-Propenoic acid, 3-bromo-3-phenyl- is 225.96 g/mol.
Where can I buy 2-Propenoic acid, 3-bromo-3-phenyl-?
You can request a quote for 2-Propenoic acid, 3-bromo-3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 3-bromo-3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3-bromo-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.