7-(2,3-dihydroxypropyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(2,3-dihydroxypropyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 333752-13-9) 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.
7-(2,3-dihydroxypropyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione
Also Known As: BAS 02999094, 7-(2,3-dihydroxypropyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione, AB00138757-02, 7-(2,3-dihydroxypropyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione, F0887-0030
| Molecular Formula | C13H19N5O4 |
|---|---|
| Molecular Weight | 309.14 g/mol |
| LogP | -1.6233 |
| Topological Polar Surface Area | 116.38 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.1437 |
| Heavy Atoms | 22 |
| Complexity | 799.0889 |
Chemical Identifiers
| CAS Number | 333752-13-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CC(CO)O |
Product Overview
7-(2,3-dihydroxypropyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 333752-13-9), with molecular formula C13H19N5O4 and molecular weight 309.14 g/mol. IUPAC: 7-(2,3-dihydroxypropyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione.
Chemical Property Profile of 7-(2,3-dihydroxypropyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(2,3-dihydroxypropyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of -1.6233 indicates that 7-(2,3-dihydroxypropyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2,3-dihydroxypropyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(2,3-dihydroxypropyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione has 3 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-(2,3-dihydroxypropyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(2,3-dihydroxypropyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione is 333752-13-9.
What is the molecular formula of 7-(2,3-dihydroxypropyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(2,3-dihydroxypropyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione is C13H19N5O4.
What is the molecular weight of 7-(2,3-dihydroxypropyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(2,3-dihydroxypropyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione is 309.14 g/mol.
Where can I buy 7-(2,3-dihydroxypropyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(2,3-dihydroxypropyl)-3-methyl-8-(pyrrolidin-1-yl)-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-(2,3-dihydroxypropyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2,3-dihydroxypropyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.