RefChem:1098101
TL;DR: RefChem:1098101 (CAS 58048-26-3) is a chemical compound with molecular formula C16H20N6O6 and molecular weight 392.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,4R,5R)-4-acetyloxy-5-(6-aminopurin-9-yl)-2-(ethylcarbamoyl)oxolan-3-yl] acetate
Also Known As: 1-(6-Amino-9H-purin-9-yl)-1-deoxy-2,3-dihydroxy-N-ethylribofuranuronamide diacetate, Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-2,3-dihydroxy-N-ethyl-, diacetate, [(2S,3S,4R,5R)-4-acetyloxy-5-(6-aminopurin-9-yl)-2-(ethylcarbamoyl)oxolan-3-yl] acetate, 2-O,3-O-Diacetyl-1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl-beta-D-ribofuranuronamide, (2R,3R,4S,5S)-4-(acetyloxy)-2-(6-amino-9H-purin-9-yl)-5-(ethylcarbamoyl)oxolan-3-yl acetate
| Molecular Formula | C16H20N6O6 |
|---|---|
| Molecular Weight | 392.14 g/mol |
| LogP | -0.6946 |
| Topological Polar Surface Area | 160.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.14444 |
| Heavy Atoms | 28 |
| Complexity | 914.1618 |
Chemical Identifiers
| CAS Number | 58048-26-3 |
|---|---|
| SMILES | CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)OC(=O)C)OC(=O)C |
Product Overview
RefChem:1098101 (CAS 58048-26-3), with molecular formula C16H20N6O6 and molecular weight 392.14 g/mol. IUPAC: [(2S,3S,4R,5R)-4-acetyloxy-5-(6-aminopurin-9-yl)-2-(ethylcarbamoyl)oxolan-3-yl] acetate.
Chemical Property Profile of RefChem:1098101
Property Insights of RefChem:1098101
The XLogP value of -0.6946 indicates that RefChem:1098101 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 160.55 Ų indicates high polarity, suggesting RefChem:1098101 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1098101 has 2 hydrogen bond donor(s) and 10 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:1098101?
The CAS number of RefChem:1098101 is 58048-26-3.
What is the molecular formula of RefChem:1098101?
The molecular formula of RefChem:1098101 is C16H20N6O6.
What is the molecular weight of RefChem:1098101?
The molecular weight of RefChem:1098101 is 392.14 g/mol.
Where can I buy RefChem:1098101?
You can request a quote for RefChem:1098101 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1098101?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1098101 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.