N,N-Dimethyl-histidine
TL;DR: N,N-Dimethyl-histidine (CAS 58147-58-3) is a chemical compound with molecular formula C8H13N3O2 and molecular weight 183.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)-3-(1H-imidazol-5-yl)propanoic acid
Also Known As: N-dimethyl histidine, N,N-DIMETHYL-HISTIDINE, histidine, n,n-dimethyl-, N,N-Dimethyl-histidine, HCl Hydrate, 2-(dimethylamino)-3-(1H-imidazol-5-yl)propanoic acid
| Molecular Formula | C8H13N3O2 |
|---|---|
| Molecular Weight | 183.10 g/mol |
| LogP | -0.033 |
| Topological Polar Surface Area | 69.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 183.10077 |
| Heavy Atoms | 13 |
| Complexity | 268.92633 |
Chemical Identifiers
| CAS Number | 58147-58-3 |
|---|---|
| SMILES | CN(C)C(CC1=CN=CN1)C(=O)O |
Product Overview
N,N-Dimethyl-histidine (CAS 58147-58-3), with molecular formula C8H13N3O2 and molecular weight 183.10 g/mol. IUPAC: 2-(dimethylamino)-3-(1H-imidazol-5-yl)propanoic acid.
Chemical Property Profile of N,N-Dimethyl-histidine
Property Insights of N,N-Dimethyl-histidine
The XLogP value of -0.033 indicates that N,N-Dimethyl-histidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.22 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-Dimethyl-histidine. Following Lipinski's Rule of Five, N,N-Dimethyl-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-Dimethyl-histidine?
The CAS number of N,N-Dimethyl-histidine is 58147-58-3.
What is the molecular formula of N,N-Dimethyl-histidine?
The molecular formula of N,N-Dimethyl-histidine is C8H13N3O2.
What is the molecular weight of N,N-Dimethyl-histidine?
The molecular weight of N,N-Dimethyl-histidine is 183.10 g/mol.
Where can I buy N,N-Dimethyl-histidine?
You can request a quote for N,N-Dimethyl-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-Dimethyl-histidine?
Yes, KEHONG BIO provides custom synthesis services for N,N-Dimethyl-histidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.