methyl 1-(3,5-di-o-acetyl-2-deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxylate
TL;DR: methyl 1-(3,5-di-o-acetyl-2-deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxylate (CAS 29868-28-8) is a chemical compound with molecular formula C14H17N3O9 and molecular weight 371.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[4-acetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-5-nitroimidazole-4-carboxylate
Also Known As: methyl 1-(3,5-di-o-acetyl-2-deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxylate, methyl 3-[4-acetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-5-nitroimidazole-4-carboxylate
| Molecular Formula | C14H17N3O9 |
|---|---|
| Molecular Weight | 371.10 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 371.09647 |
| Heavy Atoms | 26 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 29868-28-8 |
|---|---|
| SMILES | CC(=O)OCC1C(CC(O1)N2C=NC(=C2C(=O)OC)[N+](=O)[O-])OC(=O)C |
| InChIKey | NWWXMPJWFOFGCK-UHFFFAOYSA-N |
Product Overview
methyl 1-(3,5-di-o-acetyl-2-deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxylate (CAS 29868-28-8), with molecular formula C14H17N3O9 and molecular weight 371.10 g/mol. IUPAC: methyl 3-[4-acetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-5-nitroimidazole-4-carboxylate.
Chemical Property Profile of methyl 1-(3,5-di-o-acetyl-2-deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxylate
Property Insights of methyl 1-(3,5-di-o-acetyl-2-deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxylate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1-(3,5-di-o-acetyl-2-deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxylate. The TPSA of 152.0 Ų indicates high polarity, suggesting methyl 1-(3,5-di-o-acetyl-2-deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl 1-(3,5-di-o-acetyl-2-deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxylate has 0 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 methyl 1-(3,5-di-o-acetyl-2-deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxylate?
The CAS number of methyl 1-(3,5-di-o-acetyl-2-deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxylate is 29868-28-8.
What is the molecular formula of methyl 1-(3,5-di-o-acetyl-2-deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxylate?
The molecular formula of methyl 1-(3,5-di-o-acetyl-2-deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxylate is C14H17N3O9.
What is the molecular weight of methyl 1-(3,5-di-o-acetyl-2-deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxylate?
The molecular weight of methyl 1-(3,5-di-o-acetyl-2-deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxylate is 371.10 g/mol.
Where can I buy methyl 1-(3,5-di-o-acetyl-2-deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxylate?
You can request a quote for methyl 1-(3,5-di-o-acetyl-2-deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 1-(3,5-di-o-acetyl-2-deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-(3,5-di-o-acetyl-2-deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.