3-methyl-7-(2-methylpropyl)-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 3-methyl-7-(2-methylpropyl)-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione (CAS 333752-01-5) is a chemical compound with molecular formula C14H21N5O2 and molecular weight 291.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-(2-methylpropyl)-8-pyrrolidin-1-ylpurine-2,6-dione
Also Known As: AB00138750-02, 3-methyl-7-(2-methylpropyl)-8-pyrrolidin-1-ylpurine-2,6-dione, 7-isobutyl-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione, 3-methyl-7-(2-methylpropyl)-8-(pyrrolidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 3-methyl-7-(2-methylpropyl)-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C14H21N5O2 |
|---|---|
| Molecular Weight | 291.17 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.16953 |
| Heavy Atoms | 21 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 333752-01-5 |
|---|---|
| SMILES | CC(C)CN1C2=C(N=C1N3CCCC3)N(C(=O)NC2=O)C |
| InChIKey | ODCISNAIWBANTL-UHFFFAOYSA-N |
Product Overview
3-methyl-7-(2-methylpropyl)-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione (CAS 333752-01-5), with molecular formula C14H21N5O2 and molecular weight 291.17 g/mol. IUPAC: 3-methyl-7-(2-methylpropyl)-8-pyrrolidin-1-ylpurine-2,6-dione.
Chemical Property Profile of 3-methyl-7-(2-methylpropyl)-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 3-methyl-7-(2-methylpropyl)-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-7-(2-methylpropyl)-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-7-(2-methylpropyl)-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 3-methyl-7-(2-methylpropyl)-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione has 1 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-methyl-7-(2-methylpropyl)-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 3-methyl-7-(2-methylpropyl)-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione is 333752-01-5.
What is the molecular formula of 3-methyl-7-(2-methylpropyl)-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 3-methyl-7-(2-methylpropyl)-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione is C14H21N5O2.
What is the molecular weight of 3-methyl-7-(2-methylpropyl)-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 3-methyl-7-(2-methylpropyl)-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione is 291.17 g/mol.
Where can I buy 3-methyl-7-(2-methylpropyl)-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 3-methyl-7-(2-methylpropyl)-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-7-(2-methylpropyl)-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-7-(2-methylpropyl)-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.