cis-alpha-Bromocrotonic acid
TL;DR: cis-alpha-Bromocrotonic acid (CAS 36297-22-0) 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.
(E)-2-bromobut-2-enoic acid
Also Known As: 2-Bromoisocrotonic acid, alpha-Bromocrotonic acid, 2-bromo-2-butenoic acid, cis-.alpha.-Bromocrotonic acid, Crotonic acid, 2-bromo-
| Molecular Formula | C4H5BrO2 |
|---|---|
| Molecular Weight | 163.95 g/mol |
| LogP | 1.3697 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.9473 |
| Heavy Atoms | 7 |
| Complexity | 106.25742 |
Chemical Identifiers
| CAS Number | 36297-22-0 |
|---|---|
| SMILES | C/C=C(\C(=O)O)/Br |
Product Overview
cis-alpha-Bromocrotonic acid (CAS 36297-22-0), with molecular formula C4H5BrO2 and molecular weight 163.95 g/mol. IUPAC: (E)-2-bromobut-2-enoic acid.
Chemical Property Profile of cis-alpha-Bromocrotonic acid
Property Insights of cis-alpha-Bromocrotonic acid
The XLogP value of 1.3697 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-alpha-Bromocrotonic acid. With a topological polar surface area (TPSA) of 37.3 Ų, cis-alpha-Bromocrotonic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-alpha-Bromocrotonic acid has 1 hydrogen bond donor(s) and 1 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 cis-alpha-Bromocrotonic acid?
The CAS number of cis-alpha-Bromocrotonic acid is 36297-22-0.
What is the molecular formula of cis-alpha-Bromocrotonic acid?
The molecular formula of cis-alpha-Bromocrotonic acid is C4H5BrO2.
What is the molecular weight of cis-alpha-Bromocrotonic acid?
The molecular weight of cis-alpha-Bromocrotonic acid is 163.95 g/mol.
Where can I buy cis-alpha-Bromocrotonic acid?
You can request a quote for cis-alpha-Bromocrotonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-alpha-Bromocrotonic acid?
Yes, KEHONG BIO provides custom synthesis services for cis-alpha-Bromocrotonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.