![[5-acetamido-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate structure](/static/products/7080/70800-68-9.webp)
[5-acetamido-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
TL;DR: [5-acetamido-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate (CAS 70800-68-9) is a chemical compound with molecular formula C18H23N5O7 and molecular weight 421.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-acetamido-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
Also Known As: [5-acetamido-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate|.alpha.-D-threo-Hex-2-enopyranoside, methyl 2-(acetylamino)-2,3,4-trideoxy-4-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)-, 6-acetate|Methyl 6-O-acetyl-2,3,4-trideoxy-4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-2-[(1-hydroxyethylidene)amino]hex-2-enopyranoside
| Molecular Formula | C18H23N5O7 |
|---|---|
| Molecular Weight | 421.16 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.15976 |
| Heavy Atoms | 30 |
| Complexity | 772.0 |
Chemical Identifiers
| CAS Number | 70800-68-9 |
|---|---|
| SMILES | CC(=O)NC1=CC(C(OC1OC)COC(=O)C)N2C=NC3=C2C(=O)N(C(=O)N3C)C |
| InChIKey | AAMHLDYPMSIFIW-UHFFFAOYSA-N |
Product Overview
[5-acetamido-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate (CAS 70800-68-9), with molecular formula C18H23N5O7 and molecular weight 421.16 g/mol. IUPAC: [5-acetamido-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate.
Chemical Property Profile of [5-acetamido-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
Property Insights of [5-acetamido-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
The XLogP value of -1.4 indicates that [5-acetamido-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [5-acetamido-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate. Following Lipinski's Rule of Five, [5-acetamido-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate has 1 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 [5-acetamido-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The CAS number of [5-acetamido-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate is 70800-68-9.
What is the molecular formula of [5-acetamido-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The molecular formula of [5-acetamido-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate is C18H23N5O7.
What is the molecular weight of [5-acetamido-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The molecular weight of [5-acetamido-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate is 421.16 g/mol.
Where can I buy [5-acetamido-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
You can request a quote for [5-acetamido-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-acetamido-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for [5-acetamido-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.