1-(2-Deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxamide
TL;DR: 1-(2-Deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxamide (CAS 29868-29-9) is a chemical compound with molecular formula C9H12N4O6 and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-nitroimidazole-4-carboxamide
Also Known As: KST-1B2853, 1-(2-deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxamide, 3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-nitroimidazole-4-carboxamide
| Molecular Formula | C9H12N4O6 |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.07568 |
| Heavy Atoms | 19 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 29868-29-9 |
|---|---|
| SMILES | C1C(C(OC1N2C=NC(=C2C(=O)N)[N+](=O)[O-])CO)O |
| InChIKey | VTVQMYISMKQBTL-UHFFFAOYSA-N |
Product Overview
1-(2-Deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxamide (CAS 29868-29-9), with molecular formula C9H12N4O6 and molecular weight 272.08 g/mol. IUPAC: 3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-nitroimidazole-4-carboxamide.
Chemical Property Profile of 1-(2-Deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxamide
Property Insights of 1-(2-Deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxamide
The XLogP value of -1.3 indicates that 1-(2-Deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 156.0 Ų indicates high polarity, suggesting 1-(2-Deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(2-Deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxamide has 3 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 1-(2-Deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxamide?
The CAS number of 1-(2-Deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxamide is 29868-29-9.
What is the molecular formula of 1-(2-Deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxamide?
The molecular formula of 1-(2-Deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxamide is C9H12N4O6.
What is the molecular weight of 1-(2-Deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxamide?
The molecular weight of 1-(2-Deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxamide is 272.08 g/mol.
Where can I buy 1-(2-Deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxamide?
You can request a quote for 1-(2-Deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.