间溴肉桂酸
TL;DR: 间溴肉桂酸 (CAS 33044-74-5) 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.
间溴肉桂酸
(E)-3-(3-bromophenyl)prop-2-enoic acid
Also Known As: 3-Bromocinnamic acid, M-BROMOCINNAMIC ACID, 3-(3-Bromophenyl)acrylic acid, trans-3-Bromocinnamic acid, Cinnamic acid, m-bromo-
| Molecular Formula | C9H7BrO2 |
|---|---|
| Molecular Weight | 225.96 g/mol |
| LogP | 2.6 |
| 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 | 33044-74-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)/C=C/C(=O)O |
| InChIKey | YEMUSDCFQUBPAL-SNAWJCMRSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
间溴肉桂酸 (CAS 33044-74-5), with molecular formula C9H7BrO2 and molecular weight 225.96 g/mol. IUPAC: (E)-3-(3-bromophenyl)prop-2-enoic acid.
Chemical Property Profile of 间溴肉桂酸
Property Insights of 间溴肉桂酸
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 间溴肉桂酸. With a topological polar surface area (TPSA) of 37.3 Ų, 间溴肉桂酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 间溴肉桂酸 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 间溴肉桂酸?
The CAS number of 间溴肉桂酸 is 33044-74-5.
What is the molecular formula of 间溴肉桂酸?
The molecular formula of 间溴肉桂酸 is C9H7BrO2.
What is the molecular weight of 间溴肉桂酸?
The molecular weight of 间溴肉桂酸 is 225.96 g/mol.
Where can I buy 间溴肉桂酸?
You can request a quote for 间溴肉桂酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 间溴肉桂酸?
Yes, KEHONG BIO provides custom synthesis services for 间溴肉桂酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.