Histidine hydantoin
TL;DR: Histidine hydantoin (CAS 53535-33-4) is a chemical compound with molecular formula C7H8N4O2 and molecular weight 180.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S)-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione
Also Known As: Histidine hydantoin, (5s)-5-(1h-imidazol-5-ylmethyl)imidazolidine-2,4-dione, 2,4-Imidazolidinedione, 5-(1H-imidazol-4-ylmethyl)-, (S)-, (5S)-5-[(1H-Imidazol-5-yl)methyl]imidazolidine-2,4-dione, 1,4-diamino-9,10-dioxo-9,10-dihydro-anthracene-2-carboxylic acid
| Molecular Formula | C7H8N4O2 |
|---|---|
| Molecular Weight | 180.06 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.06473 |
| Heavy Atoms | 13 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 53535-33-4 |
|---|---|
| SMILES | C1=C(NC=N1)C[C@H]2C(=O)NC(=O)N2 |
| InChIKey | BLKGOXMBLUVZLQ-YFKPBYRVSA-N |
Product Overview
Histidine hydantoin (CAS 53535-33-4), with molecular formula C7H8N4O2 and molecular weight 180.06 g/mol. IUPAC: (5S)-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione.
Chemical Property Profile of Histidine hydantoin
Property Insights of Histidine hydantoin
The XLogP value of -0.9 indicates that Histidine hydantoin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Histidine hydantoin. Following Lipinski's Rule of Five, Histidine hydantoin has 3 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 Histidine hydantoin?
The CAS number of Histidine hydantoin is 53535-33-4.
What is the molecular formula of Histidine hydantoin?
The molecular formula of Histidine hydantoin is C7H8N4O2.
What is the molecular weight of Histidine hydantoin?
The molecular weight of Histidine hydantoin is 180.06 g/mol.
Where can I buy Histidine hydantoin?
You can request a quote for Histidine hydantoin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Histidine hydantoin?
Yes, KEHONG BIO provides custom synthesis services for Histidine hydantoin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.