(2E)-4-(Dimethylamino)-2-butenoyl chloride
TL;DR: (2E)-4-(Dimethylamino)-2-butenoyl chloride (CAS 774534-34-8) is a chemical compound with molecular formula C6H10ClNO and molecular weight 147.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(dimethylamino)but-2-enoyl chloride
Also Known As: (E)-4-(dimethylamino)but-2-enoyl chloride, Afatinib Impurity 62, 4-dimethylaminocrotonyl chloride, dimethylaminocrotonyl chloride, 4-(dimethylamino)but-2-enoyl chloride
| Molecular Formula | C6H10ClNO |
|---|---|
| Molecular Weight | 147.05 g/mol |
| LogP | 0.8696 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 147.04509 |
| Heavy Atoms | 9 |
| Complexity | 120.226265 |
Chemical Identifiers
| CAS Number | 774534-34-8 |
|---|---|
| SMILES | CN(C)C/C=C/C(=O)Cl |
Product Overview
(2E)-4-(Dimethylamino)-2-butenoyl chloride (CAS 774534-34-8), with molecular formula C6H10ClNO and molecular weight 147.05 g/mol. IUPAC: (E)-4-(dimethylamino)but-2-enoyl chloride.
Chemical Property Profile of (2E)-4-(Dimethylamino)-2-butenoyl chloride
Property Insights of (2E)-4-(Dimethylamino)-2-butenoyl chloride
The XLogP value of 0.8696 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-4-(Dimethylamino)-2-butenoyl chloride. With a topological polar surface area (TPSA) of 20.31 Ų, (2E)-4-(Dimethylamino)-2-butenoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-4-(Dimethylamino)-2-butenoyl chloride has 0 hydrogen bond donor(s) and 2 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)-4-(Dimethylamino)-2-butenoyl chloride?
The CAS number of (2E)-4-(Dimethylamino)-2-butenoyl chloride is 774534-34-8.
What is the molecular formula of (2E)-4-(Dimethylamino)-2-butenoyl chloride?
The molecular formula of (2E)-4-(Dimethylamino)-2-butenoyl chloride is C6H10ClNO.
What is the molecular weight of (2E)-4-(Dimethylamino)-2-butenoyl chloride?
The molecular weight of (2E)-4-(Dimethylamino)-2-butenoyl chloride is 147.05 g/mol.
Where can I buy (2E)-4-(Dimethylamino)-2-butenoyl chloride?
You can request a quote for (2E)-4-(Dimethylamino)-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)-4-(Dimethylamino)-2-butenoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for (2E)-4-(Dimethylamino)-2-butenoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.