3-脱氢肉碱
TL;DR: 3-脱氢肉碱 (CAS 10457-99-5) is a chemical compound with molecular formula C7H14NO3+ and molecular weight 160.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-脱氢肉碱
(3-carboxy-2-oxopropyl)-trimethylazanium
Also Known As: 3-Dehydrocarnitine, 3-DEHYDROCARNITINIUM, (3-carboxy-2-oxopropyl)trimethylazanium, 3-Carboxy-N,N,N-trimethyl-2-oxo-1-propanaminium, (3-carboxy-2-oxopropyl)-trimethylazanium
| Molecular Formula | C7H14NO3+ |
|---|---|
| Molecular Weight | 160.10 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 160.09737 |
| Heavy Atoms | 11 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 10457-99-5 |
|---|---|
| SMILES | C[N+](C)(C)CC(=O)CC(=O)O |
| InChIKey | YNOWULSFLVIUDH-UHFFFAOYSA-O |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-脱氢肉碱 (CAS 10457-99-5), with molecular formula C7H14NO3+ and molecular weight 160.10 g/mol. IUPAC: (3-carboxy-2-oxopropyl)-trimethylazanium.
Chemical Property Profile of 3-脱氢肉碱
Property Insights of 3-脱氢肉碱
The XLogP value of -0.3 indicates that 3-脱氢肉碱 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 54.4 Ų, 3-脱氢肉碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-脱氢肉碱 has 1 hydrogen bond donor(s) and 3 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 3-脱氢肉碱?
The CAS number of 3-脱氢肉碱 is 10457-99-5.
What is the molecular formula of 3-脱氢肉碱?
The molecular formula of 3-脱氢肉碱 is C7H14NO3+.
What is the molecular weight of 3-脱氢肉碱?
The molecular weight of 3-脱氢肉碱 is 160.10 g/mol.
Where can I buy 3-脱氢肉碱?
You can request a quote for 3-脱氢肉碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-脱氢肉碱?
Yes, KEHONG BIO provides custom synthesis services for 3-脱氢肉碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.