2-Bromobut-2-enoic acid
TL;DR: 2-Bromobut-2-enoic acid (CAS 27243-23-8) is a chemical compound with molecular formula C4H5BrO2 and molecular weight 163.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromobut-2-enoic acid
Also Known As: 2-bromobut-2-enoic acid, alpha-Bromocrotonic acid, Crotonic acid, 2-bromo-, (Z)-2-bromobut-2-enoic acid, (2E)-2-bromo-2-butenoic acid
| Molecular Formula | C4H5BrO2 |
|---|---|
| Molecular Weight | 163.95 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.9473 |
| Heavy Atoms | 7 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 27243-23-8 |
|---|---|
| SMILES | CC=C(C(=O)O)Br |
| InChIKey | YKIKDQYYTAOTPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromobut-2-enoic acid (CAS 27243-23-8), with molecular formula C4H5BrO2 and molecular weight 163.95 g/mol. IUPAC: 2-bromobut-2-enoic acid.
Chemical Property Profile of 2-Bromobut-2-enoic acid
Property Insights of 2-Bromobut-2-enoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromobut-2-enoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Bromobut-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromobut-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 2-Bromobut-2-enoic acid?
The CAS number of 2-Bromobut-2-enoic acid is 27243-23-8.
What is the molecular formula of 2-Bromobut-2-enoic acid?
The molecular formula of 2-Bromobut-2-enoic acid is C4H5BrO2.
What is the molecular weight of 2-Bromobut-2-enoic acid?
The molecular weight of 2-Bromobut-2-enoic acid is 163.95 g/mol.
Where can I buy 2-Bromobut-2-enoic acid?
You can request a quote for 2-Bromobut-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 2-Bromobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.