2-Butenoyl chloride
TL;DR: 2-Butenoyl chloride (CAS 10487-71-5) is a chemical compound with molecular formula C4H5ClO and molecular weight 104.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enoyl chloride
Also Known As: Crotonyl chloride, 2-Butenoyl chloride, Butenoyl chloride, but-2-enoyl chloride, Crotonoyl chloride
| Molecular Formula | C4H5ClO |
|---|---|
| Molecular Weight | 104.00 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 104.00289 |
| Heavy Atoms | 6 |
| Complexity | 75.0 |
Chemical Identifiers
| CAS Number | 10487-71-5 |
|---|---|
| SMILES | CC=CC(=O)Cl |
| InChIKey | RJUIDDKTATZJFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butenoyl chloride (CAS 10487-71-5), with molecular formula C4H5ClO and molecular weight 104.00 g/mol. IUPAC: but-2-enoyl chloride.
Chemical Property Profile of 2-Butenoyl chloride
Property Insights of 2-Butenoyl chloride
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoyl chloride. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Butenoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 2-Butenoyl chloride?
The CAS number of 2-Butenoyl chloride is 10487-71-5.
What is the molecular formula of 2-Butenoyl chloride?
The molecular formula of 2-Butenoyl chloride is C4H5ClO.
What is the molecular weight of 2-Butenoyl chloride?
The molecular weight of 2-Butenoyl chloride is 104.00 g/mol.
Where can I buy 2-Butenoyl chloride?
You can request a quote for 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 2-Butenoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.