4-Bromohistidine
TL;DR: 4-Bromohistidine (CAS 97486-06-1) is a chemical compound with molecular formula C6H8BrN3O2 and molecular weight 232.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-(4-bromo-1H-imidazol-5-yl)propanoic acid
Also Known As: 4-Bromohistidine, 5-Bromohistidine #, Histidine, 5-bromo-, L-Histidine, 5-bromo-, 1-chloroethane-1,2-bis(sulphenyl chloride)
| Molecular Formula | C6H8BrN3O2 |
|---|---|
| Molecular Weight | 232.98 g/mol |
| LogP | -2.2 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.98 |
| Heavy Atoms | 12 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 97486-06-1 |
|---|---|
| SMILES | C1=NC(=C(N1)CC(C(=O)O)N)Br |
| InChIKey | WAOOZBPXRNXGKW-UHFFFAOYSA-N |
Product Overview
4-Bromohistidine (CAS 97486-06-1), with molecular formula C6H8BrN3O2 and molecular weight 232.98 g/mol. IUPAC: 2-amino-3-(4-bromo-1H-imidazol-5-yl)propanoic acid.
Chemical Property Profile of 4-Bromohistidine
Property Insights of 4-Bromohistidine
The XLogP value of -2.2 indicates that 4-Bromohistidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromohistidine. Following Lipinski's Rule of Five, 4-Bromohistidine has 3 hydrogen bond donor(s) and 4 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 4-Bromohistidine?
The CAS number of 4-Bromohistidine is 97486-06-1.
What is the molecular formula of 4-Bromohistidine?
The molecular formula of 4-Bromohistidine is C6H8BrN3O2.
What is the molecular weight of 4-Bromohistidine?
The molecular weight of 4-Bromohistidine is 232.98 g/mol.
Where can I buy 4-Bromohistidine?
You can request a quote for 4-Bromohistidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromohistidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromohistidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.