AO-082/13831031
TL;DR: AO-082/13831031 (CAS 62636-97-9) is a chemical compound with molecular formula C13H21N5O4 and molecular weight 311.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2,3-dihydroxypropyl)-1-[2-(dimethylamino)ethyl]-3-methylpurine-2,6-dione
Also Known As: AO-082/13831031, 7-(2,3-dihydroxypropyl)-1-[2-(dimethylamino)ethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 7-(2,3-dihydroxypropyl)-1-(2-(dimethylamino)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-(2,3-dihydroxypropyl)-1-(2-dimethylaminoethyl)-3-methylpurine-2,6-dione, 7-(2,3-dihydroxypropyl)-1-(2-dimethylaminoethyl)-3-methyl-purine-2,6-dione
| Molecular Formula | C13H21N5O4 |
|---|---|
| Molecular Weight | 311.16 g/mol |
| LogP | -2.1885 |
| Topological Polar Surface Area | 105.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.15936 |
| Heavy Atoms | 22 |
| Complexity | 773.054 |
Chemical Identifiers
| CAS Number | 62636-97-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CCN(C)C)N(C=N2)CC(CO)O |
Product Overview
AO-082/13831031 (CAS 62636-97-9), with molecular formula C13H21N5O4 and molecular weight 311.16 g/mol. IUPAC: 7-(2,3-dihydroxypropyl)-1-[2-(dimethylamino)ethyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of AO-082/13831031
Property Insights of AO-082/13831031
The XLogP value of -2.1885 indicates that AO-082/13831031 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.52 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-082/13831031. Following Lipinski's Rule of Five, AO-082/13831031 has 2 hydrogen bond donor(s) and 6 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-082/13831031?
The CAS number of AO-082/13831031 is 62636-97-9.
What is the molecular formula of AO-082/13831031?
The molecular formula of AO-082/13831031 is C13H21N5O4.
What is the molecular weight of AO-082/13831031?
The molecular weight of AO-082/13831031 is 311.16 g/mol.
Where can I buy AO-082/13831031?
You can request a quote for AO-082/13831031 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-082/13831031?
Yes, KEHONG BIO provides custom synthesis services for AO-082/13831031 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.