C18H20N6O5.1/2H2O
TL;DR: C18H20N6O5.1/2H2O (CAS 58048-18-3) is a chemical compound with molecular formula C18H20N6O5 and molecular weight 400.15 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)-3,4-dihydroxy-N-(2-phenoxyethyl)oxolane-2-carboxamide
Also Known As: C18H20N6O5.1/2H2O, Adenosine-5'-(N-(2-phenoxyethyl))carboxamide hemihydrate, C18-H20-N6-O5.1/2H2-O, Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-(2-phenoxyethyl)-, hemihydrate, 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-(2-(phenoxy)ethyl)ribofuranuronamide hemihydrate
| Molecular Formula | C18H20N6O5 |
|---|---|
| Molecular Weight | 400.15 g/mol |
| LogP | -0.7771 |
| Topological Polar Surface Area | 157.64 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.1495 |
| Heavy Atoms | 29 |
| Complexity | 996.8302 |
Chemical Identifiers
| CAS Number | 58048-18-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCCNC(=O)[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O |
Product Overview
C18H20N6O5.1/2H2O (CAS 58048-18-3), with molecular formula C18H20N6O5 and molecular weight 400.15 g/mol. IUPAC: (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-(2-phenoxyethyl)oxolane-2-carboxamide.
Chemical Property Profile of C18H20N6O5.1/2H2O
Property Insights of C18H20N6O5.1/2H2O
The XLogP value of -0.7771 indicates that C18H20N6O5.1/2H2O is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 157.64 Ų indicates high polarity, suggesting C18H20N6O5.1/2H2O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C18H20N6O5.1/2H2O has 4 hydrogen bond donor(s) and 9 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 C18H20N6O5.1/2H2O?
The CAS number of C18H20N6O5.1/2H2O is 58048-18-3.
What is the molecular formula of C18H20N6O5.1/2H2O?
The molecular formula of C18H20N6O5.1/2H2O is C18H20N6O5.
What is the molecular weight of C18H20N6O5.1/2H2O?
The molecular weight of C18H20N6O5.1/2H2O is 400.15 g/mol.
Where can I buy C18H20N6O5.1/2H2O?
You can request a quote for C18H20N6O5.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H20N6O5.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C18H20N6O5.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.