(2S)-3-(1H-imidazol-5-yl)-2-(phosphonoamino)propanoic acid
TL;DR: (2S)-3-(1H-imidazol-5-yl)-2-(phosphonoamino)propanoic acid (CAS 6453-64-1) is a chemical compound with molecular formula C6H10N3O5P and molecular weight 235.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-(1H-imidazol-5-yl)-2-(phosphonoamino)propanoic acid
Also Known As: phosphohistidine, 3-Phosphohistidine, 1-phosphohistidine, phosphono-L-histidine, Histidine, phosphono-
| Molecular Formula | C6H10N3O5P |
|---|---|
| Molecular Weight | 235.04 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.03581 |
| Heavy Atoms | 15 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 6453-64-1 |
|---|---|
| SMILES | C1=C(NC=N1)C[C@@H](C(=O)O)NP(=O)(O)O |
| InChIKey | FDIKHVQUPVCJFA-YFKPBYRVSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2S)-3-(1H-imidazol-5-yl)-2-(phosphonoamino)propanoic acid (CAS 6453-64-1), with molecular formula C6H10N3O5P and molecular weight 235.04 g/mol. IUPAC: (2S)-3-(1H-imidazol-5-yl)-2-(phosphonoamino)propanoic acid.
Chemical Property Profile of (2S)-3-(1H-imidazol-5-yl)-2-(phosphonoamino)propanoic acid
Property Insights of (2S)-3-(1H-imidazol-5-yl)-2-(phosphonoamino)propanoic acid
The XLogP value of -2.1 indicates that (2S)-3-(1H-imidazol-5-yl)-2-(phosphonoamino)propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-3-(1H-imidazol-5-yl)-2-(phosphonoamino)propanoic acid. Following Lipinski's Rule of Five, (2S)-3-(1H-imidazol-5-yl)-2-(phosphonoamino)propanoic acid has 5 hydrogen bond donor(s) and 7 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 (2S)-3-(1H-imidazol-5-yl)-2-(phosphonoamino)propanoic acid?
The CAS number of (2S)-3-(1H-imidazol-5-yl)-2-(phosphonoamino)propanoic acid is 6453-64-1.
What is the molecular formula of (2S)-3-(1H-imidazol-5-yl)-2-(phosphonoamino)propanoic acid?
The molecular formula of (2S)-3-(1H-imidazol-5-yl)-2-(phosphonoamino)propanoic acid is C6H10N3O5P.
What is the molecular weight of (2S)-3-(1H-imidazol-5-yl)-2-(phosphonoamino)propanoic acid?
The molecular weight of (2S)-3-(1H-imidazol-5-yl)-2-(phosphonoamino)propanoic acid is 235.04 g/mol.
Where can I buy (2S)-3-(1H-imidazol-5-yl)-2-(phosphonoamino)propanoic acid?
You can request a quote for (2S)-3-(1H-imidazol-5-yl)-2-(phosphonoamino)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-3-(1H-imidazol-5-yl)-2-(phosphonoamino)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-3-(1H-imidazol-5-yl)-2-(phosphonoamino)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.