AO-082/13831024
TL;DR: AO-082/13831024 (CAS 354792-45-3) is a chemical compound with molecular formula C22H28N4O9 and molecular weight 492.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[7-(2,3-dihydroxypropyl)-3-methyl-2,6-dioxopurin-1-yl]propyl 3,4,5-trimethoxybenzoate
Also Known As: AO-082/13831024, 3-[7-(2,3-dihydroxypropyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]propyl 3,4,5-trimethoxybenzoate, 3-(7-(2,3-dihydroxypropyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)propyl 3,4,5-trimethoxybenzoate, 3-[7-(2,3-dihydroxypropyl)-3-methyl-2,6-dioxopurin-1-yl]propyl 3,4,5-trimethoxybenzoate, 3-[7-(2,3-dihydroxypropyl)-3-methyl-2,6-dioxo-purin-1-yl]propyl 3,4,5-trimethoxybenzoate
| Molecular Formula | C22H28N4O9 |
|---|---|
| Molecular Weight | 492.19 g/mol |
| LogP | -0.4772 |
| Topological Polar Surface Area | 156.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 492.18564 |
| Heavy Atoms | 35 |
| Complexity | 1299.9283 |
Chemical Identifiers
| CAS Number | 354792-45-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CCCOC(=O)C3=CC(=C(C(=C3)OC)OC)OC)N(C=N2)CC(CO)O |
Product Overview
AO-082/13831024 (CAS 354792-45-3), with molecular formula C22H28N4O9 and molecular weight 492.19 g/mol. IUPAC: 3-[7-(2,3-dihydroxypropyl)-3-methyl-2,6-dioxopurin-1-yl]propyl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of AO-082/13831024
Property Insights of AO-082/13831024
The XLogP value of -0.4772 indicates that AO-082/13831024 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 156.27 Ų indicates high polarity, suggesting AO-082/13831024 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AO-082/13831024 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 AO-082/13831024?
The CAS number of AO-082/13831024 is 354792-45-3.
What is the molecular formula of AO-082/13831024?
The molecular formula of AO-082/13831024 is C22H28N4O9.
What is the molecular weight of AO-082/13831024?
The molecular weight of AO-082/13831024 is 492.19 g/mol.
Where can I buy AO-082/13831024?
You can request a quote for AO-082/13831024 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-082/13831024?
Yes, KEHONG BIO provides custom synthesis services for AO-082/13831024 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.