2'-O-(N-methylanthraniloyl)ATP
TL;DR: 2'-O-(N-methylanthraniloyl)ATP (CAS 130799-34-7) is a chemical compound with molecular formula C18H23N6O14P3 and molecular weight 640.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate
Also Known As: 2'-O-(N-Methylanthraniloyl)ATP, 2/'-O-(N-methylanthraniloyl)ATP, 2 -O-(N-Methylanthraniloyl)-ATP, Adenosine 2 -[2-(methylamino)benzoate]5 -triphosphate, 2'-O-(2-(methylamino)benzoyl)adenosine 5'-(tetrahydrogen triphosphate)
| Molecular Formula | C18H23N6O14P3 |
|---|---|
| Molecular Weight | 640.05 g/mol |
| LogP | -2.9 |
| Topological Polar Surface Area | 297.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 12 |
| Exact Mass | 640.0485 |
| Heavy Atoms | 41 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 130799-34-7 |
|---|---|
| SMILES | CNC1=CC=CC=C1C(=O)O[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C(N=CN=C43)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O |
| InChIKey | OTIXVXNMFVNGEF-LSCFUAHRSA-N |
Product Overview
2'-O-(N-methylanthraniloyl)ATP (CAS 130799-34-7), with molecular formula C18H23N6O14P3 and molecular weight 640.05 g/mol. IUPAC: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate.
Chemical Property Profile of 2'-O-(N-methylanthraniloyl)ATP
Property Insights of 2'-O-(N-methylanthraniloyl)ATP
The XLogP value of -2.9 indicates that 2'-O-(N-methylanthraniloyl)ATP is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 297.0 Ų indicates high polarity, suggesting 2'-O-(N-methylanthraniloyl)ATP may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2'-O-(N-methylanthraniloyl)ATP has 7 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2'-O-(N-methylanthraniloyl)ATP?
The CAS number of 2'-O-(N-methylanthraniloyl)ATP is 130799-34-7.
What is the molecular formula of 2'-O-(N-methylanthraniloyl)ATP?
The molecular formula of 2'-O-(N-methylanthraniloyl)ATP is C18H23N6O14P3.
What is the molecular weight of 2'-O-(N-methylanthraniloyl)ATP?
The molecular weight of 2'-O-(N-methylanthraniloyl)ATP is 640.05 g/mol.
Where can I buy 2'-O-(N-methylanthraniloyl)ATP?
You can request a quote for 2'-O-(N-methylanthraniloyl)ATP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-O-(N-methylanthraniloyl)ATP?
Yes, KEHONG BIO provides custom synthesis services for 2'-O-(N-methylanthraniloyl)ATP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.