RefChem:326601
TL;DR: RefChem:326601 (CAS 72758-45-3) is a chemical compound with molecular formula C19H20N6O6 and molecular weight 428.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]amino]benzoate
Also Known As: C19H20N6O6.1/2H2O, C19-H20-N6-O6.1/2H2-O, Benzoic acid, 2-((1-(6-amino-9H-purin-9-yl)-1-deoxy-beta-D-ribofuranuronoyl)amino)-, ethyl ester, hemihydrate, Ethyl 2-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolane-2-carboxamido]benzoate, Ethyl 2-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolane-2-carbonyl]amino]benzoate
| Molecular Formula | C19H20N6O6 |
|---|---|
| Molecular Weight | 428.14 g/mol |
| LogP | -0.1569 |
| Topological Polar Surface Area | 174.71 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.14444 |
| Heavy Atoms | 31 |
| Complexity | 1134.0287 |
Chemical Identifiers
| CAS Number | 72758-45-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1NC(=O)[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O |
Product Overview
RefChem:326601 (CAS 72758-45-3), with molecular formula C19H20N6O6 and molecular weight 428.14 g/mol. IUPAC: ethyl 2-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]amino]benzoate.
Chemical Property Profile of RefChem:326601
Property Insights of RefChem:326601
The XLogP value of -0.1569 indicates that RefChem:326601 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 174.71 Ų indicates high polarity, suggesting RefChem:326601 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:326601 has 4 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:326601?
The CAS number of RefChem:326601 is 72758-45-3.
What is the molecular formula of RefChem:326601?
The molecular formula of RefChem:326601 is C19H20N6O6.
What is the molecular weight of RefChem:326601?
The molecular weight of RefChem:326601 is 428.14 g/mol.
Where can I buy RefChem:326601?
You can request a quote for RefChem:326601 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326601?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326601 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.