N,N,N-Trimethyl-Histidine
TL;DR: N,N,N-Trimethyl-Histidine (CAS 534-30-5) is a chemical compound with molecular formula C9H16N3O2+ and molecular weight 198.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]-trimethylazanium
Also Known As: Hercynine, N,N,N-Trimethyl-Histidine, Nalpha-Trimethylhistidine, Nalpha,Nalpha,Nalpha-Trimethyl-L-histidine, J3.568.054C
| Molecular Formula | C9H16N3O2+ |
|---|---|
| Molecular Weight | 198.12 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.12425 |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 534-30-5 |
|---|---|
| SMILES | C[N+](C)(C)[C@@H](CC1=CN=CN1)C(=O)O |
| InChIKey | GPPYTCRVKHULJH-QMMMGPOBSA-O |
Product Overview
N,N,N-Trimethyl-Histidine (CAS 534-30-5), with molecular formula C9H16N3O2+ and molecular weight 198.12 g/mol. IUPAC: [(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]-trimethylazanium.
Chemical Property Profile of N,N,N-Trimethyl-Histidine
Property Insights of N,N,N-Trimethyl-Histidine
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N,N-Trimethyl-Histidine. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N,N-Trimethyl-Histidine. Following Lipinski's Rule of Five, N,N,N-Trimethyl-Histidine has 2 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 N,N,N-Trimethyl-Histidine?
The CAS number of N,N,N-Trimethyl-Histidine is 534-30-5.
What is the molecular formula of N,N,N-Trimethyl-Histidine?
The molecular formula of N,N,N-Trimethyl-Histidine is C9H16N3O2+.
What is the molecular weight of N,N,N-Trimethyl-Histidine?
The molecular weight of N,N,N-Trimethyl-Histidine is 198.12 g/mol.
Where can I buy N,N,N-Trimethyl-Histidine?
You can request a quote for N,N,N-Trimethyl-Histidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N,N-Trimethyl-Histidine?
Yes, KEHONG BIO provides custom synthesis services for N,N,N-Trimethyl-Histidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.