7-butyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-butyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 851937-59-2) is a chemical compound with molecular formula C17H27N5O2 and molecular weight 333.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-butyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)purine-2,6-dione
Also Known As: 7-butyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)purine-2,6-dione, 7-butyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione, 7-butyl-1,3-dimethyl-8-(1-piperidylmethyl)purine-2,6-dione, 7-butyl-1,3-dimethyl-8-(piperidylmethyl)-1,3,7-trihydropurine-2,6-dione, 7-butyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C17H27N5O2 |
|---|---|
| Molecular Weight | 333.22 g/mol |
| LogP | 1.2197 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.21646 |
| Heavy Atoms | 24 |
| Complexity | 839.25366 |
Chemical Identifiers
| CAS Number | 851937-59-2 |
|---|---|
| SMILES | CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCCCC3 |
Product Overview
7-butyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 851937-59-2), with molecular formula C17H27N5O2 and molecular weight 333.22 g/mol. IUPAC: 7-butyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)purine-2,6-dione.
Chemical Property Profile of 7-butyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-butyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.2197 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-butyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-butyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-butyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione has 0 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 7-butyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-butyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione is 851937-59-2.
What is the molecular formula of 7-butyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-butyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione is C17H27N5O2.
What is the molecular weight of 7-butyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-butyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione is 333.22 g/mol.
Where can I buy 7-butyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-butyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-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 7-butyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-butyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.