7-Deaza-3'F-5-Cl-PurineTP
TL;DR: 7-Deaza-3'F-5-Cl-PurineTP (CAS 132087-47-9) is a chemical compound with molecular formula C11H14ClFN3O11P3 and molecular weight 510.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,5R)-5-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: 7-Deaza-3'F-5-Cl-PurineTP, 7-Deaza-3'-fluoro-2',3'-dideoxy-5'-triphosphate-5-chloro-purine ribofuranoside, 7H-Pyrrolo(2,3-d)pyrimidine, 4-chloro-7-(2,3-dideoxy-3-fluoro-5-O-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-D-erythro-pentofuranosyl)-, [[(2R,3S,5R)-5-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-fluoro-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate, [[(2R,3S,5R)-5-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
| Molecular Formula | C11H14ClFN3O11P3 |
|---|---|
| Molecular Weight | 510.95 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 200.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 510.9514 |
| Heavy Atoms | 30 |
| Complexity | 776.0 |
Chemical Identifiers
| CAS Number | 132087-47-9 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=CC3=C2N=CN=C3Cl)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)F |
| InChIKey | MFMYBMRZVQKYML-DJLDLDEBSA-N |
Product Overview
7-Deaza-3'F-5-Cl-PurineTP (CAS 132087-47-9), with molecular formula C11H14ClFN3O11P3 and molecular weight 510.95 g/mol. IUPAC: [[(2R,3S,5R)-5-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of 7-Deaza-3'F-5-Cl-PurineTP
Property Insights of 7-Deaza-3'F-5-Cl-PurineTP
The XLogP value of -1.9 indicates that 7-Deaza-3'F-5-Cl-PurineTP is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 200.0 Ų indicates high polarity, suggesting 7-Deaza-3'F-5-Cl-PurineTP may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-Deaza-3'F-5-Cl-PurineTP 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 7-Deaza-3'F-5-Cl-PurineTP?
The CAS number of 7-Deaza-3'F-5-Cl-PurineTP is 132087-47-9.
What is the molecular formula of 7-Deaza-3'F-5-Cl-PurineTP?
The molecular formula of 7-Deaza-3'F-5-Cl-PurineTP is C11H14ClFN3O11P3.
What is the molecular weight of 7-Deaza-3'F-5-Cl-PurineTP?
The molecular weight of 7-Deaza-3'F-5-Cl-PurineTP is 510.95 g/mol.
Where can I buy 7-Deaza-3'F-5-Cl-PurineTP?
You can request a quote for 7-Deaza-3'F-5-Cl-PurineTP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Deaza-3'F-5-Cl-PurineTP?
Yes, KEHONG BIO provides custom synthesis services for 7-Deaza-3'F-5-Cl-PurineTP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.