2'(3')-O-N-Methylanthraniloyl-adenosine-5'-diphosphate
TL;DR: 2'(3')-O-N-Methylanthraniloyl-adenosine-5'-diphosphate (CAS 91828-83-0) is a chemical compound with molecular formula C18H22N6O10P2 and molecular weight 544.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate
Also Known As: Mant-ADP, Mant-dADP, J1.507.115J, 2'(3')-O-N-METHYLANTHRANILOYL-ADENOSINE-5'-DIPHOSPHATE, 3 -(N-Methylanthraniloyl)-2 -deoxy-ADP
| Molecular Formula | C18H22N6O10P2 |
|---|---|
| Molecular Weight | 544.09 g/mol |
| LogP | 1.1896 |
| Topological Polar Surface Area | 230.47 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 544.0873 |
| Heavy Atoms | 36 |
| Complexity | 1363.1414 |
Chemical Identifiers
| CAS Number | 91828-83-0 |
|---|---|
| SMILES | CNC1=CC=CC=C1C(=O)O[C@H]2C[C@@H](O[C@@H]2COP(=O)(O)OP(=O)(O)O)N3C=NC4=C(N=CN=C43)N |
Product Overview
2'(3')-O-N-Methylanthraniloyl-adenosine-5'-diphosphate (CAS 91828-83-0), with molecular formula C18H22N6O10P2 and molecular weight 544.09 g/mol. IUPAC: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate.
Chemical Property Profile of 2'(3')-O-N-Methylanthraniloyl-adenosine-5'-diphosphate
Property Insights of 2'(3')-O-N-Methylanthraniloyl-adenosine-5'-diphosphate
The XLogP value of 1.1896 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'(3')-O-N-Methylanthraniloyl-adenosine-5'-diphosphate. The TPSA of 230.47 Ų indicates high polarity, suggesting 2'(3')-O-N-Methylanthraniloyl-adenosine-5'-diphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2'(3')-O-N-Methylanthraniloyl-adenosine-5'-diphosphate has 5 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 2'(3')-O-N-Methylanthraniloyl-adenosine-5'-diphosphate?
The CAS number of 2'(3')-O-N-Methylanthraniloyl-adenosine-5'-diphosphate is 91828-83-0.
What is the molecular formula of 2'(3')-O-N-Methylanthraniloyl-adenosine-5'-diphosphate?
The molecular formula of 2'(3')-O-N-Methylanthraniloyl-adenosine-5'-diphosphate is C18H22N6O10P2.
What is the molecular weight of 2'(3')-O-N-Methylanthraniloyl-adenosine-5'-diphosphate?
The molecular weight of 2'(3')-O-N-Methylanthraniloyl-adenosine-5'-diphosphate is 544.09 g/mol.
Where can I buy 2'(3')-O-N-Methylanthraniloyl-adenosine-5'-diphosphate?
You can request a quote for 2'(3')-O-N-Methylanthraniloyl-adenosine-5'-diphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'(3')-O-N-Methylanthraniloyl-adenosine-5'-diphosphate?
Yes, KEHONG BIO provides custom synthesis services for 2'(3')-O-N-Methylanthraniloyl-adenosine-5'-diphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.