1,7-Dideaza-6-NO2-D4PTP
TL;DR: 1,7-Dideaza-6-NO2-D4PTP (CAS 132062-51-2) is a chemical compound with molecular formula C12H14N3O13P3 and molecular weight 500.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[hydroxy-[[(2S,5R)-5-(4-nitropyrrolo[2,3-b]pyridin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
Also Known As: 1,7-Dideaza-6-NO2-D4PTP, Triphosphoric acid, P-((2,5-dihydro-5-(4-nitro-1H-pyrrolo(2,3-b)pyridin-1-yl)-2-furanyl)methyl) ester, (2S-cis)-, 1,7-Dideaza-2',3'-dideoxy-2',3'-didehydro-5'-triphosphate-6-nitro-purine ribofuranoside, [hydroxy-[[(2S,5R)-5-(4-nitropyrrolo[2,3-b]pyridin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate, Triphosphoric acid, P-[[2,5-dihydro-5-(4-nitro-1H-pyrrolo[2,3-b]pyridin-1-yl)-2-furanyl]methyl] ester, (2S-cis)-
| Molecular Formula | C12H14N3O13P3 |
|---|---|
| Molecular Weight | 500.97 g/mol |
| LogP | -2.5 |
| Topological Polar Surface Area | 233.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 500.97394 |
| Heavy Atoms | 31 |
| Complexity | 858.0 |
Chemical Identifiers
| CAS Number | 132062-51-2 |
|---|---|
| SMILES | C1=C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC3=C(C=CN=C32)[N+](=O)[O-] |
| InChIKey | ZAHIUJPYUHFDBC-GZMMTYOYSA-N |
Product Overview
1,7-Dideaza-6-NO2-D4PTP (CAS 132062-51-2), with molecular formula C12H14N3O13P3 and molecular weight 500.97 g/mol. IUPAC: [hydroxy-[[(2S,5R)-5-(4-nitropyrrolo[2,3-b]pyridin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of 1,7-Dideaza-6-NO2-D4PTP
Property Insights of 1,7-Dideaza-6-NO2-D4PTP
The XLogP value of -2.5 indicates that 1,7-Dideaza-6-NO2-D4PTP is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 233.0 Ų indicates high polarity, suggesting 1,7-Dideaza-6-NO2-D4PTP may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,7-Dideaza-6-NO2-D4PTP has 4 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,7-Dideaza-6-NO2-D4PTP?
The CAS number of 1,7-Dideaza-6-NO2-D4PTP is 132062-51-2.
What is the molecular formula of 1,7-Dideaza-6-NO2-D4PTP?
The molecular formula of 1,7-Dideaza-6-NO2-D4PTP is C12H14N3O13P3.
What is the molecular weight of 1,7-Dideaza-6-NO2-D4PTP?
The molecular weight of 1,7-Dideaza-6-NO2-D4PTP is 500.97 g/mol.
Where can I buy 1,7-Dideaza-6-NO2-D4PTP?
You can request a quote for 1,7-Dideaza-6-NO2-D4PTP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,7-Dideaza-6-NO2-D4PTP?
Yes, KEHONG BIO provides custom synthesis services for 1,7-Dideaza-6-NO2-D4PTP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.