3-Ethylhistidine
TL;DR: 3-Ethylhistidine (CAS 1601092-99-2) 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.
(2S)-2-amino-3-(3-ethylimidazol-4-yl)propanoic acid
Also Known As: 3-Ethylhistidine, 3-Ethyl-L-histidine, NP-ethyl-L-histidine, L-Histidine, 3-ethyl-, (2S)-2-amino-3-(3-ethylimidazol-4-yl)propanoic acid
| Molecular Formula | C8H13N3O2 |
|---|---|
| Molecular Weight | 183.10 g/mol |
| LogP | -0.1426 |
| Topological Polar Surface Area | 81.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 183.10077 |
| Heavy Atoms | 13 |
| Complexity | 295.33417 |
Chemical Identifiers
| CAS Number | 1601092-99-2 |
|---|---|
| SMILES | CCN1C=NC=C1C[C@@H](C(=O)O)N |
Product Overview
3-Ethylhistidine (CAS 1601092-99-2), with molecular formula C8H13N3O2 and molecular weight 183.10 g/mol. IUPAC: (2S)-2-amino-3-(3-ethylimidazol-4-yl)propanoic acid.
Chemical Property Profile of 3-Ethylhistidine
Property Insights of 3-Ethylhistidine
The XLogP value of -0.1426 indicates that 3-Ethylhistidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethylhistidine. Following Lipinski's Rule of Five, 3-Ethylhistidine 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 3-Ethylhistidine?
The CAS number of 3-Ethylhistidine is 1601092-99-2.
What is the molecular formula of 3-Ethylhistidine?
The molecular formula of 3-Ethylhistidine is C8H13N3O2.
What is the molecular weight of 3-Ethylhistidine?
The molecular weight of 3-Ethylhistidine is 183.10 g/mol.
Where can I buy 3-Ethylhistidine?
You can request a quote for 3-Ethylhistidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethylhistidine?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethylhistidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.