1,7-Dideaza-ddPTP
TL;DR: 1,7-Dideaza-ddPTP (CAS 132062-52-3) is a chemical compound with molecular formula C12H17N2O11P3 and molecular weight 458.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[hydroxy(phosphonooxy)phosphoryl] [(2S,5R)-5-pyrrolo[2,3-b]pyridin-1-yloxolan-2-yl]methyl hydrogen phosphate
Also Known As: 1,7-Dideaza-ddPTP, 1,7-Dideaza-2',3'-dideoxy-5'-triphosphate-purine ribofuranoside, Triphosphoric acid, P-((tetrahydro-5-(1H-pyrrolo(2,3-b)pyridin-1-yl)-2-furanyl)methyl) ester, (2S-cis)-, [hydroxy(phosphonooxy)phosphoryl] [(2S,5R)-5-pyrrolo[2,3-b]pyridin-1-yloxolan-2-yl]methyl hydrogen phosphate, [hydroxy(phosphonooxy)phosphoryl] [(2S,5R)-5-pyrrolo[2,3-b]pyridin-1-yltetrahydrofuran-2-yl]methyl hydrogen phosphate
| Molecular Formula | C12H17N2O11P3 |
|---|---|
| Molecular Weight | 458.00 g/mol |
| LogP | -2.2 |
| Topological Polar Surface Area | 187.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 458.00452 |
| Heavy Atoms | 28 |
| Complexity | 702.0 |
Chemical Identifiers
| CAS Number | 132062-52-3 |
|---|---|
| SMILES | C1C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC3=C2N=CC=C3 |
| InChIKey | SIUZGIDBRICVRS-WDEREUQCSA-N |
Product Overview
1,7-Dideaza-ddPTP (CAS 132062-52-3), with molecular formula C12H17N2O11P3 and molecular weight 458.00 g/mol. IUPAC: [hydroxy(phosphonooxy)phosphoryl] [(2S,5R)-5-pyrrolo[2,3-b]pyridin-1-yloxolan-2-yl]methyl hydrogen phosphate.
Chemical Property Profile of 1,7-Dideaza-ddPTP
Property Insights of 1,7-Dideaza-ddPTP
The XLogP value of -2.2 indicates that 1,7-Dideaza-ddPTP is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 187.0 Ų indicates high polarity, suggesting 1,7-Dideaza-ddPTP may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,7-Dideaza-ddPTP has 4 hydrogen bond donor(s) and 12 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-ddPTP?
The CAS number of 1,7-Dideaza-ddPTP is 132062-52-3.
What is the molecular formula of 1,7-Dideaza-ddPTP?
The molecular formula of 1,7-Dideaza-ddPTP is C12H17N2O11P3.
What is the molecular weight of 1,7-Dideaza-ddPTP?
The molecular weight of 1,7-Dideaza-ddPTP is 458.00 g/mol.
Where can I buy 1,7-Dideaza-ddPTP?
You can request a quote for 1,7-Dideaza-ddPTP 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-ddPTP?
Yes, KEHONG BIO provides custom synthesis services for 1,7-Dideaza-ddPTP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.