3-Bromoprop-2-enoic acid
TL;DR: 3-Bromoprop-2-enoic acid (CAS 6213-89-4) is a chemical compound with molecular formula C3H3BrO2 and molecular weight 149.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromoprop-2-enoic acid
Also Known As: (E)-3-Bromoacrylic Acid, 3-bromoprop-2-enoic acid, (Z)-3-BROMOACRYLIC ACID, (E)-3-BromoacrylicAcid, trans-.beta.-Bromoacrylic acid
| Molecular Formula | C3H3BrO2 |
|---|---|
| Molecular Weight | 149.93 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 149.93164 |
| Heavy Atoms | 6 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 6213-89-4 |
|---|---|
| SMILES | C(=CBr)C(=O)O |
| InChIKey | POAWTYXNXPEWCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromoprop-2-enoic acid (CAS 6213-89-4), with molecular formula C3H3BrO2 and molecular weight 149.93 g/mol. IUPAC: 3-bromoprop-2-enoic acid.
Chemical Property Profile of 3-Bromoprop-2-enoic acid
Property Insights of 3-Bromoprop-2-enoic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromoprop-2-enoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Bromoprop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromoprop-2-enoic acid 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 3-Bromoprop-2-enoic acid?
The CAS number of 3-Bromoprop-2-enoic acid is 6213-89-4.
What is the molecular formula of 3-Bromoprop-2-enoic acid?
The molecular formula of 3-Bromoprop-2-enoic acid is C3H3BrO2.
What is the molecular weight of 3-Bromoprop-2-enoic acid?
The molecular weight of 3-Bromoprop-2-enoic acid is 149.93 g/mol.
Where can I buy 3-Bromoprop-2-enoic acid?
You can request a quote for 3-Bromoprop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromoprop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromoprop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.