2-Methylbut-2-enoyl chloride
TL;DR: 2-Methylbut-2-enoyl chloride (CAS 62529-65-1) is a chemical compound with molecular formula C5H7ClO and molecular weight 118.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbut-2-enoyl chloride
Also Known As: Tigloyl Chloride, 2-METHYLBUT-2-ENOYL CHLORIDE, (E)-2-methylbut-2-enoyl chloride, 2,3-dimethylacryloyl chloride, 2-methyl-but-2-enoyl chloride
| Molecular Formula | C5H7ClO |
|---|---|
| Molecular Weight | 118.02 g/mol |
| LogP | 1.718 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 118.01854 |
| Heavy Atoms | 7 |
| Complexity | 104.64778 |
Chemical Identifiers
| CAS Number | 62529-65-1 |
|---|---|
| SMILES | CC=C(C)C(=O)Cl |
Product Overview
2-Methylbut-2-enoyl chloride (CAS 62529-65-1), with molecular formula C5H7ClO and molecular weight 118.02 g/mol. IUPAC: 2-methylbut-2-enoyl chloride.
Chemical Property Profile of 2-Methylbut-2-enoyl chloride
Property Insights of 2-Methylbut-2-enoyl chloride
The XLogP value of 1.718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylbut-2-enoyl chloride. With a topological polar surface area (TPSA) of 17.07 Ų, 2-Methylbut-2-enoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylbut-2-enoyl chloride 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 2-Methylbut-2-enoyl chloride?
The CAS number of 2-Methylbut-2-enoyl chloride is 62529-65-1.
What is the molecular formula of 2-Methylbut-2-enoyl chloride?
The molecular formula of 2-Methylbut-2-enoyl chloride is C5H7ClO.
What is the molecular weight of 2-Methylbut-2-enoyl chloride?
The molecular weight of 2-Methylbut-2-enoyl chloride is 118.02 g/mol.
Where can I buy 2-Methylbut-2-enoyl chloride?
You can request a quote for 2-Methylbut-2-enoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylbut-2-enoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylbut-2-enoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.