4-Hydroxyperisoxal
TL;DR: 4-Hydroxyperisoxal (CAS 101772-43-4) is a chemical compound with molecular formula C16H26N12O7S and molecular weight 530.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(3-amino-3-iminopropyl)carbamoyl]-1-methylimidazol-4-yl]-4-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylimidazole-2-carboxamide;sulfuric acid
Also Known As: 4-Hydroxyperisoxal, 1H-Imidazole-2-carboxamide, 4-((((aminoiminomethyl)amino)acetyl)amino)-N-(2-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-, sulfate (1:1), 4-((((Aminoiminomethyl)amino)acetyl)amino)-N-(2-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide sulfate (1:1), N-[2-(2-carbamimidoylethylcarbamoyl)-1-methyl-imidazol-4-yl]-4-[[2-(diaminomethylideneamino)acetyl]amino]-1-methyl-imidazole-2-carboxamide; sulfuric acid, N-[2-[(3-amino-3-iminopropyl)carbamoyl]-1-methylimidazol-4-yl]-4-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylimidazole-2-carboxamide;sulfuric acid
| Molecular Formula | C16H26N12O7S |
|---|---|
| Molecular Weight | 530.18 g/mol |
| LogP | -2.97913 |
| Topological Polar Surface Area | 320.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 530.1768 |
| Heavy Atoms | 36 |
| Complexity | 806.0 |
Chemical Identifiers
| CAS Number | 101772-43-4 |
|---|---|
| SMILES | CN1C=C(N=C1C(=O)NC2=CN(C(=N2)C(=O)NCCC(=N)N)C)NC(=O)CN=C(N)N.OS(=O)(=O)O |
| InChIKey | QLAJYXVFIQUGDH-UHFFFAOYSA-N |
Product Overview
4-Hydroxyperisoxal (CAS 101772-43-4), with molecular formula C16H26N12O7S and molecular weight 530.18 g/mol. IUPAC: N-[2-[(3-amino-3-iminopropyl)carbamoyl]-1-methylimidazol-4-yl]-4-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylimidazole-2-carboxamide;sulfuric acid.
Chemical Property Profile of 4-Hydroxyperisoxal
Property Insights of 4-Hydroxyperisoxal
The XLogP value of -2.97913 indicates that 4-Hydroxyperisoxal is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 320.0 Ų indicates high polarity, suggesting 4-Hydroxyperisoxal may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Hydroxyperisoxal has 9 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Hydroxyperisoxal?
The CAS number of 4-Hydroxyperisoxal is 101772-43-4.
What is the molecular formula of 4-Hydroxyperisoxal?
The molecular formula of 4-Hydroxyperisoxal is C16H26N12O7S.
What is the molecular weight of 4-Hydroxyperisoxal?
The molecular weight of 4-Hydroxyperisoxal is 530.18 g/mol.
Where can I buy 4-Hydroxyperisoxal?
You can request a quote for 4-Hydroxyperisoxal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxyperisoxal?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxyperisoxal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.