![[5-[4-carbamoyl-5-(cyanomethyl)imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate structure](/static/products/5603/56039-12-4.webp)
[5-[4-carbamoyl-5-(cyanomethyl)imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
TL;DR: [5-[4-carbamoyl-5-(cyanomethyl)imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate (CAS 56039-12-4) is a chemical compound with molecular formula C11H15N4O8P and molecular weight 362.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[4-carbamoyl-5-(cyanomethyl)imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Also Known As: [5-[4-carbamoyl-5-(cyanomethyl)imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate|5-(Cyanomethyl)-1-(5-O-phosphonopentofuranosyl)-1H-imidazole-4-carboxamide
| Molecular Formula | C11H15N4O8P |
|---|---|
| Molecular Weight | 362.06 g/mol |
| LogP | -4.3 |
| Topological Polar Surface Area | 201.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.06274 |
| Heavy Atoms | 24 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 56039-12-4 |
|---|---|
| SMILES | C1=NC(=C(N1C2C(C(C(O2)COP(=O)(O)O)O)O)CC#N)C(=O)N |
| InChIKey | DOUYRBNMRKXWSD-UHFFFAOYSA-N |
Product Overview
[5-[4-carbamoyl-5-(cyanomethyl)imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate (CAS 56039-12-4), with molecular formula C11H15N4O8P and molecular weight 362.06 g/mol. IUPAC: [5-[4-carbamoyl-5-(cyanomethyl)imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate.
Chemical Property Profile of [5-[4-carbamoyl-5-(cyanomethyl)imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Property Insights of [5-[4-carbamoyl-5-(cyanomethyl)imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
The XLogP value of -4.3 indicates that [5-[4-carbamoyl-5-(cyanomethyl)imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 201.0 Ų indicates high polarity, suggesting [5-[4-carbamoyl-5-(cyanomethyl)imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [5-[4-carbamoyl-5-(cyanomethyl)imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate has 5 hydrogen bond donor(s) and 10 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 [5-[4-carbamoyl-5-(cyanomethyl)imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate?
The CAS number of [5-[4-carbamoyl-5-(cyanomethyl)imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate is 56039-12-4.
What is the molecular formula of [5-[4-carbamoyl-5-(cyanomethyl)imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate?
The molecular formula of [5-[4-carbamoyl-5-(cyanomethyl)imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate is C11H15N4O8P.
What is the molecular weight of [5-[4-carbamoyl-5-(cyanomethyl)imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate?
The molecular weight of [5-[4-carbamoyl-5-(cyanomethyl)imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate is 362.06 g/mol.
Where can I buy [5-[4-carbamoyl-5-(cyanomethyl)imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate?
You can request a quote for [5-[4-carbamoyl-5-(cyanomethyl)imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-[4-carbamoyl-5-(cyanomethyl)imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate?
Yes, KEHONG BIO provides custom synthesis services for [5-[4-carbamoyl-5-(cyanomethyl)imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.