7-(3-(allyloxy)-2-hydroxypropyl)-8-amino-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(3-(allyloxy)-2-hydroxypropyl)-8-amino-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 876892-11-4) is a chemical compound with molecular formula C13H19N5O4 and molecular weight 309.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-amino-7-(2-hydroxy-3-prop-2-enoxypropyl)-1,3-dimethylpurine-2,6-dione
Also Known As: BAS 12401239, VU0508215-1, 7-(3-(allyloxy)-2-hydroxypropyl)-8-amino-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-amino-7-(2-hydroxy-3-prop-2-enoxypropyl)-1,3-dimethylpurine-2,6-dione, F3064-0061
| Molecular Formula | C13H19N5O4 |
|---|---|
| Molecular Weight | 309.14 g/mol |
| LogP | -1.4206 |
| Topological Polar Surface Area | 117.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.1437 |
| Heavy Atoms | 22 |
| Complexity | 816.4155 |
Chemical Identifiers
| CAS Number | 876892-11-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N)CC(COCC=C)O |
Product Overview
7-(3-(allyloxy)-2-hydroxypropyl)-8-amino-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 876892-11-4), with molecular formula C13H19N5O4 and molecular weight 309.14 g/mol. IUPAC: 8-amino-7-(2-hydroxy-3-prop-2-enoxypropyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-(3-(allyloxy)-2-hydroxypropyl)-8-amino-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(3-(allyloxy)-2-hydroxypropyl)-8-amino-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of -1.4206 indicates that 7-(3-(allyloxy)-2-hydroxypropyl)-8-amino-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-(allyloxy)-2-hydroxypropyl)-8-amino-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(3-(allyloxy)-2-hydroxypropyl)-8-amino-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione 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 7-(3-(allyloxy)-2-hydroxypropyl)-8-amino-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(3-(allyloxy)-2-hydroxypropyl)-8-amino-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 876892-11-4.
What is the molecular formula of 7-(3-(allyloxy)-2-hydroxypropyl)-8-amino-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(3-(allyloxy)-2-hydroxypropyl)-8-amino-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C13H19N5O4.
What is the molecular weight of 7-(3-(allyloxy)-2-hydroxypropyl)-8-amino-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(3-(allyloxy)-2-hydroxypropyl)-8-amino-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 309.14 g/mol.
Where can I buy 7-(3-(allyloxy)-2-hydroxypropyl)-8-amino-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(3-(allyloxy)-2-hydroxypropyl)-8-amino-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(3-(allyloxy)-2-hydroxypropyl)-8-amino-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(3-(allyloxy)-2-hydroxypropyl)-8-amino-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.