Crotonaldehyde, 2-bromo-3-methyl-
TL;DR: Crotonaldehyde, 2-bromo-3-methyl- (CAS 31058-93-2) is a chemical compound with molecular formula C5H7BrO and molecular weight 161.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-3-methylbut-2-enal
Also Known As: 2-bromo-3-methylbut-2-enal, 2-Bromo-3-methylcrotonaldehyde, Crotonaldehyde, 2-bromo-3-methyl-, 2-bromo-3-methyl-2-butenal, alpha-bromo-beta-methyl-crotonaldehyde
| Molecular Formula | C5H7BrO |
|---|---|
| Molecular Weight | 161.97 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.96803 |
| Heavy Atoms | 7 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 31058-93-2 |
|---|---|
| SMILES | CC(=C(C=O)Br)C |
| InChIKey | QPXZIWMBYOJZCG-UHFFFAOYSA-N |
Product Overview
Crotonaldehyde, 2-bromo-3-methyl- (CAS 31058-93-2), with molecular formula C5H7BrO and molecular weight 161.97 g/mol. IUPAC: 2-bromo-3-methylbut-2-enal.
Chemical Property Profile of Crotonaldehyde, 2-bromo-3-methyl-
Property Insights of Crotonaldehyde, 2-bromo-3-methyl-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Crotonaldehyde, 2-bromo-3-methyl-. With a topological polar surface area (TPSA) of 17.1 Ų, Crotonaldehyde, 2-bromo-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Crotonaldehyde, 2-bromo-3-methyl- has 0 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 Crotonaldehyde, 2-bromo-3-methyl-?
The CAS number of Crotonaldehyde, 2-bromo-3-methyl- is 31058-93-2.
What is the molecular formula of Crotonaldehyde, 2-bromo-3-methyl-?
The molecular formula of Crotonaldehyde, 2-bromo-3-methyl- is C5H7BrO.
What is the molecular weight of Crotonaldehyde, 2-bromo-3-methyl-?
The molecular weight of Crotonaldehyde, 2-bromo-3-methyl- is 161.97 g/mol.
Where can I buy Crotonaldehyde, 2-bromo-3-methyl-?
You can request a quote for Crotonaldehyde, 2-bromo-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crotonaldehyde, 2-bromo-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Crotonaldehyde, 2-bromo-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.