(2E)-2-Methyl-2-butenoyl chloride
TL;DR: (2E)-2-Methyl-2-butenoyl chloride (CAS 49651-33-4) 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.
(E)-2-methylbut-2-enoyl chloride
Also Known As: Tigloyl Chloride, (E)-2-methylbut-2-enoyl chloride, (E)-2-Methylcrotonoyl chloride, TIGLOYLCHLORIDE, tiglic acid 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 | 49651-33-4 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)Cl |
Product Overview
(2E)-2-Methyl-2-butenoyl chloride (CAS 49651-33-4), with molecular formula C5H7ClO and molecular weight 118.02 g/mol. IUPAC: (E)-2-methylbut-2-enoyl chloride.
Chemical Property Profile of (2E)-2-Methyl-2-butenoyl chloride
Property Insights of (2E)-2-Methyl-2-butenoyl chloride
The XLogP value of 1.718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-Methyl-2-butenoyl chloride. With a topological polar surface area (TPSA) of 17.07 Ų, (2E)-2-Methyl-2-butenoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-2-Methyl-2-butenoyl 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 (2E)-2-Methyl-2-butenoyl chloride?
The CAS number of (2E)-2-Methyl-2-butenoyl chloride is 49651-33-4.
What is the molecular formula of (2E)-2-Methyl-2-butenoyl chloride?
The molecular formula of (2E)-2-Methyl-2-butenoyl chloride is C5H7ClO.
What is the molecular weight of (2E)-2-Methyl-2-butenoyl chloride?
The molecular weight of (2E)-2-Methyl-2-butenoyl chloride is 118.02 g/mol.
Where can I buy (2E)-2-Methyl-2-butenoyl chloride?
You can request a quote for (2E)-2-Methyl-2-butenoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-Methyl-2-butenoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-Methyl-2-butenoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.