Crotonic acid betaine
TL;DR: Crotonic acid betaine (CAS 6778-30-9) is a chemical compound with molecular formula C7H13NO2 and molecular weight 143.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(trimethylazaniumyl)but-2-enoate
Also Known As: Crotonobetaine, Crotonic acid betaine, Croton betaine, Crotonsaeurebetain, crotono-betaine
| Molecular Formula | C7H13NO2 |
|---|---|
| Molecular Weight | 143.09 g/mol |
| LogP | -1.0013 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 143.09464 |
| Heavy Atoms | 10 |
| Complexity | 144.17532 |
Chemical Identifiers
| CAS Number | 6778-30-9 |
|---|---|
| SMILES | C[N+](C)(C)C/C=C/C(=O)[O-] |
Product Overview
Crotonic acid betaine (CAS 6778-30-9), with molecular formula C7H13NO2 and molecular weight 143.09 g/mol. IUPAC: (E)-4-(trimethylazaniumyl)but-2-enoate.
Chemical Property Profile of Crotonic acid betaine
Property Insights of Crotonic acid betaine
The XLogP value of -1.0013 indicates that Crotonic acid betaine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.13 Ų, Crotonic acid betaine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Crotonic acid betaine 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 Crotonic acid betaine?
The CAS number of Crotonic acid betaine is 6778-30-9.
What is the molecular formula of Crotonic acid betaine?
The molecular formula of Crotonic acid betaine is C7H13NO2.
What is the molecular weight of Crotonic acid betaine?
The molecular weight of Crotonic acid betaine is 143.09 g/mol.
Where can I buy Crotonic acid betaine?
You can request a quote for Crotonic acid betaine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crotonic acid betaine?
Yes, KEHONG BIO provides custom synthesis services for Crotonic acid betaine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.