Crotonobetaine hydrochloride
TL;DR: Crotonobetaine hydrochloride (CAS 144205-67-4) is a chemical compound with molecular formula C7H14ClNO2 and molecular weight 179.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-3-carboxyprop-2-enyl]-trimethylazanium chloride
Also Known As: Crotonobetaine hydrochloride, Crotonsaeurebetain-chlorid, (3-Carboxyallyl)trimethylammonium chloride, Apocarnitin-hydrochlorid, Levocarnitine Impurity 2
| Molecular Formula | C7H14ClNO2 |
|---|---|
| Molecular Weight | 179.07 g/mol |
| LogP | -2.6626 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.0713 |
| Heavy Atoms | 11 |
| Complexity | 149.00978 |
Chemical Identifiers
| CAS Number | 144205-67-4 |
|---|---|
| SMILES | C[N+](C)(C)C/C=C/C(=O)O.[Cl-] |
Product Overview
Crotonobetaine hydrochloride (CAS 144205-67-4), with molecular formula C7H14ClNO2 and molecular weight 179.07 g/mol. IUPAC: [(E)-3-carboxyprop-2-enyl]-trimethylazanium chloride.
Chemical Property Profile of Crotonobetaine hydrochloride
Property Insights of Crotonobetaine hydrochloride
The XLogP value of -2.6626 indicates that Crotonobetaine hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 37.3 Ų, Crotonobetaine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Crotonobetaine hydrochloride has 1 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 Crotonobetaine hydrochloride?
The CAS number of Crotonobetaine hydrochloride is 144205-67-4.
What is the molecular formula of Crotonobetaine hydrochloride?
The molecular formula of Crotonobetaine hydrochloride is C7H14ClNO2.
What is the molecular weight of Crotonobetaine hydrochloride?
The molecular weight of Crotonobetaine hydrochloride is 179.07 g/mol.
Where can I buy Crotonobetaine hydrochloride?
You can request a quote for Crotonobetaine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crotonobetaine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Crotonobetaine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.