3-(pyridin-3-ylmethyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 3-(pyridin-3-ylmethyl)-1H-purine-2,6(3H,7H)-dione (CAS 847852-96-4) is a chemical compound with molecular formula C11H9N5O2 and molecular weight 243.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(pyridin-3-ylmethyl)-7H-purine-2,6-dione
Also Known As: 3-(pyridin-3-ylmethyl)-7H-purine-2,6-dione, 3-(pyridin-3-ylmethyl)-1H-purine-2,6(3H,7H)-dione, 6-hydroxy-3-(pyridin-3-ylmethyl)-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C11H9N5O2 |
|---|---|
| Molecular Weight | 243.08 g/mol |
| LogP | -0.1438 |
| Topological Polar Surface Area | 96.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.07562 |
| Heavy Atoms | 18 |
| Complexity | 799.4068 |
Chemical Identifiers
| CAS Number | 847852-96-4 |
|---|---|
| SMILES | C1=CC(=CN=C1)CN2C3=C(C(=O)NC2=O)NC=N3 |
Product Overview
3-(pyridin-3-ylmethyl)-1H-purine-2,6(3H,7H)-dione (CAS 847852-96-4), with molecular formula C11H9N5O2 and molecular weight 243.08 g/mol. IUPAC: 3-(pyridin-3-ylmethyl)-7H-purine-2,6-dione.
Chemical Property Profile of 3-(pyridin-3-ylmethyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 3-(pyridin-3-ylmethyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of -0.1438 indicates that 3-(pyridin-3-ylmethyl)-1H-purine-2,6(3H,7H)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(pyridin-3-ylmethyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 3-(pyridin-3-ylmethyl)-1H-purine-2,6(3H,7H)-dione has 2 hydrogen bond donor(s) and 4 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 3-(pyridin-3-ylmethyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 3-(pyridin-3-ylmethyl)-1H-purine-2,6(3H,7H)-dione is 847852-96-4.
What is the molecular formula of 3-(pyridin-3-ylmethyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 3-(pyridin-3-ylmethyl)-1H-purine-2,6(3H,7H)-dione is C11H9N5O2.
What is the molecular weight of 3-(pyridin-3-ylmethyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 3-(pyridin-3-ylmethyl)-1H-purine-2,6(3H,7H)-dione is 243.08 g/mol.
Where can I buy 3-(pyridin-3-ylmethyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 3-(pyridin-3-ylmethyl)-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 3-(pyridin-3-ylmethyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(pyridin-3-ylmethyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.