![Tert-butyl 2-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]acetate structure](/static/products/6036/60363-89-5.webp)
Tert-butyl 2-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]acetate
TL;DR: Tert-butyl 2-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]acetate (CAS 60363-89-5) is a chemical compound with molecular formula C16H22N4O6 and molecular weight 366.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]acetate
Also Known As: A-caryophyllene ketone, tert-butyl 2-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]acetate, 6-(2-tert-Butoxy-2-oxoethyl)-9-pentofuranosyl-9H-purine
| Molecular Formula | C16H22N4O6 |
|---|---|
| Molecular Weight | 366.15 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.15393 |
| Heavy Atoms | 26 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 60363-89-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O |
| InChIKey | CNMQADZDJKAHQY-UHFFFAOYSA-N |
Product Overview
Tert-butyl 2-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]acetate (CAS 60363-89-5), with molecular formula C16H22N4O6 and molecular weight 366.15 g/mol. IUPAC: tert-butyl 2-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]acetate.
Chemical Property Profile of Tert-butyl 2-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]acetate
Property Insights of Tert-butyl 2-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]acetate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 2-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]acetate. The TPSA of 140.0 Ų indicates high polarity, suggesting Tert-butyl 2-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tert-butyl 2-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]acetate has 3 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 Tert-butyl 2-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]acetate?
The CAS number of Tert-butyl 2-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]acetate is 60363-89-5.
What is the molecular formula of Tert-butyl 2-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]acetate?
The molecular formula of Tert-butyl 2-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]acetate is C16H22N4O6.
What is the molecular weight of Tert-butyl 2-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]acetate?
The molecular weight of Tert-butyl 2-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]acetate is 366.15 g/mol.
Where can I buy Tert-butyl 2-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]acetate?
You can request a quote for Tert-butyl 2-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 2-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 2-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.