9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6-((2,2-diphenylethyl)amino)-N-(2-(piperidin-1-yl)ethyl)-9H-purine-2-carboxamide
TL;DR: 9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6-((2,2-diphenylethyl)amino)-N-(2-(piperidin-1-yl)ethyl)-9H-purine-2-carboxamide (CAS 313344-83-1) is a chemical compound with molecular formula C32H39N7O5 and molecular weight 601.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2,2-diphenylethylamino)-N-(2-piperidin-1-ylethyl)purine-2-carboxamide
Also Known As: 9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6-((2,2-diphenylethyl)amino)-N-(2-(piperidin-1-yl)ethyl)-9H-purine-2-carboxamide, 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2,2-diphenylethylamino)-N-(2-piperidin-1-ylethyl)purine-2-carboxamide, N-(2,2-Diphenylethyl)-2-{[2-(piperidin-1-yl)ethyl]carbamoyl}adenosine, ADENOSINE,N-(2,2-DIPHENYLETHYL)-2-[[[2-(1-PIPERIDINYL)ETHYL]AMINO]CARBONYL]-(9CI), N-(2,2-diphenylethyl)-2-{[(2-piperidin-1-ylethyl)amino] carbonyl}adenosine
| Molecular Formula | C32H39N7O5 |
|---|---|
| Molecular Weight | 601.30 g/mol |
| LogP | 1.8975 |
| Topological Polar Surface Area | 157.89 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 601.3013 |
| Heavy Atoms | 44 |
| Complexity | 1490.7992 |
Chemical Identifiers
| CAS Number | 313344-83-1 |
|---|---|
| SMILES | C1CCN(CC1)CCNC(=O)C2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)NCC(C5=CC=CC=C5)C6=CC=CC=C6 |
Product Overview
9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6-((2,2-diphenylethyl)amino)-N-(2-(piperidin-1-yl)ethyl)-9H-purine-2-carboxamide (CAS 313344-83-1), with molecular formula C32H39N7O5 and molecular weight 601.30 g/mol. IUPAC: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2,2-diphenylethylamino)-N-(2-piperidin-1-ylethyl)purine-2-carboxamide.
Chemical Property Profile of 9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6-((2,2-diphenylethyl)amino)-N-(2-(piperidin-1-yl)ethyl)-9H-purine-2-carboxamide
Property Insights of 9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6-((2,2-diphenylethyl)amino)-N-(2-(piperidin-1-yl)ethyl)-9H-purine-2-carboxamide
The XLogP value of 1.8975 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6-((2,2-diphenylethyl)amino)-N-(2-(piperidin-1-yl)ethyl)-9H-purine-2-carboxamide. The TPSA of 157.89 Ų indicates high polarity, suggesting 9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6-((2,2-diphenylethyl)amino)-N-(2-(piperidin-1-yl)ethyl)-9H-purine-2-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6-((2,2-diphenylethyl)amino)-N-(2-(piperidin-1-yl)ethyl)-9H-purine-2-carboxamide has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6-((2,2-diphenylethyl)amino)-N-(2-(piperidin-1-yl)ethyl)-9H-purine-2-carboxamide?
The CAS number of 9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6-((2,2-diphenylethyl)amino)-N-(2-(piperidin-1-yl)ethyl)-9H-purine-2-carboxamide is 313344-83-1.
What is the molecular formula of 9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6-((2,2-diphenylethyl)amino)-N-(2-(piperidin-1-yl)ethyl)-9H-purine-2-carboxamide?
The molecular formula of 9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6-((2,2-diphenylethyl)amino)-N-(2-(piperidin-1-yl)ethyl)-9H-purine-2-carboxamide is C32H39N7O5.
What is the molecular weight of 9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6-((2,2-diphenylethyl)amino)-N-(2-(piperidin-1-yl)ethyl)-9H-purine-2-carboxamide?
The molecular weight of 9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6-((2,2-diphenylethyl)amino)-N-(2-(piperidin-1-yl)ethyl)-9H-purine-2-carboxamide is 601.30 g/mol.
Where can I buy 9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6-((2,2-diphenylethyl)amino)-N-(2-(piperidin-1-yl)ethyl)-9H-purine-2-carboxamide?
You can request a quote for 9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6-((2,2-diphenylethyl)amino)-N-(2-(piperidin-1-yl)ethyl)-9H-purine-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6-((2,2-diphenylethyl)amino)-N-(2-(piperidin-1-yl)ethyl)-9H-purine-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6-((2,2-diphenylethyl)amino)-N-(2-(piperidin-1-yl)ethyl)-9H-purine-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.