RefChem:329037
TL;DR: RefChem:329037 (CAS 58048-16-1) is a chemical compound with molecular formula C20H26N6O4 and molecular weight 414.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4R,5R)-N-(1-adamantyl)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide
Also Known As: beta-D-Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-tricyclo(3.3.1.1(sup 3,7)dec-1-yl)-, N-(1-Adamantyl)-1-(6-amino-9H-purin-9-yl)-1-deoxy-beta-D-ribofuranuronamide, 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-tricyclo(3.3.1.1(3,7))dec-1-yl-beta-D-ribofuranuronamide, (2S,3S,4R,5R)-N-(1-adamantyl)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide, (2S,3S,4R,5R)-N-(Adamantan-1-yl)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide
| Molecular Formula | C20H26N6O4 |
|---|---|
| Molecular Weight | 414.20 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.20154 |
| Heavy Atoms | 30 |
| Complexity | 667.0 |
Chemical Identifiers
| CAS Number | 58048-16-1 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)NC(=O)[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O |
| InChIKey | CPOJGSHCVPOTHR-XAWDNZOJSA-N |
Product Overview
RefChem:329037 (CAS 58048-16-1), with molecular formula C20H26N6O4 and molecular weight 414.20 g/mol. IUPAC: (2S,3S,4R,5R)-N-(1-adamantyl)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide.
Chemical Property Profile of RefChem:329037
Property Insights of RefChem:329037
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:329037. The TPSA of 148.0 Ų indicates high polarity, suggesting RefChem:329037 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:329037 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 RefChem:329037?
The CAS number of RefChem:329037 is 58048-16-1.
What is the molecular formula of RefChem:329037?
The molecular formula of RefChem:329037 is C20H26N6O4.
What is the molecular weight of RefChem:329037?
The molecular weight of RefChem:329037 is 414.20 g/mol.
Where can I buy RefChem:329037?
You can request a quote for RefChem:329037 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:329037?
Yes, KEHONG BIO provides custom synthesis services for RefChem:329037 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.