1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-(2,6-dimethylphenyl)-beta-D-ribofuranuronamide trihydrate
TL;DR: 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-(2,6-dimethylphenyl)-beta-D-ribofuranuronamide trihydrate (CAS 58090-40-7) is a chemical compound with molecular formula C18H20N6O4 and molecular weight 384.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-(2,6-dimethylphenyl)-3,4-dihydroxyoxolane-2-carboxamide
Also Known As: 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-(2,6-dimethylphenyl)-beta-D-ribofuranuronamide trihydrate, beta-D-Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-(2,6-dimethylphenyl)-, trihydrate (1:3), (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-(2,6-dimethylphenyl)-3,4-dihydroxyoxolane-2-carboxamide, RefChem:1079672
| Molecular Formula | C18H20N6O4 |
|---|---|
| Molecular Weight | 384.15 g/mol |
| LogP | 0.28324 |
| Topological Polar Surface Area | 148.41 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.1546 |
| Heavy Atoms | 28 |
| Complexity | 1031.4819 |
Chemical Identifiers
| CAS Number | 58090-40-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O |
Product Overview
1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-(2,6-dimethylphenyl)-beta-D-ribofuranuronamide trihydrate (CAS 58090-40-7), with molecular formula C18H20N6O4 and molecular weight 384.15 g/mol. IUPAC: (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-(2,6-dimethylphenyl)-3,4-dihydroxyoxolane-2-carboxamide.
Chemical Property Profile of 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-(2,6-dimethylphenyl)-beta-D-ribofuranuronamide trihydrate
Property Insights of 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-(2,6-dimethylphenyl)-beta-D-ribofuranuronamide trihydrate
The XLogP value of 0.28324 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-(2,6-dimethylphenyl)-beta-D-ribofuranuronamide trihydrate. The TPSA of 148.41 Ų indicates high polarity, suggesting 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-(2,6-dimethylphenyl)-beta-D-ribofuranuronamide trihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-(2,6-dimethylphenyl)-beta-D-ribofuranuronamide trihydrate has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-(2,6-dimethylphenyl)-beta-D-ribofuranuronamide trihydrate?
The CAS number of 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-(2,6-dimethylphenyl)-beta-D-ribofuranuronamide trihydrate is 58090-40-7.
What is the molecular formula of 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-(2,6-dimethylphenyl)-beta-D-ribofuranuronamide trihydrate?
The molecular formula of 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-(2,6-dimethylphenyl)-beta-D-ribofuranuronamide trihydrate is C18H20N6O4.
What is the molecular weight of 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-(2,6-dimethylphenyl)-beta-D-ribofuranuronamide trihydrate?
The molecular weight of 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-(2,6-dimethylphenyl)-beta-D-ribofuranuronamide trihydrate is 384.15 g/mol.
Where can I buy 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-(2,6-dimethylphenyl)-beta-D-ribofuranuronamide trihydrate?
You can request a quote for 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-(2,6-dimethylphenyl)-beta-D-ribofuranuronamide trihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-(2,6-dimethylphenyl)-beta-D-ribofuranuronamide trihydrate?
Yes, KEHONG BIO provides custom synthesis services for 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-(2,6-dimethylphenyl)-beta-D-ribofuranuronamide trihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.