3-Methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 3-Methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione (CAS 137003-08-8) is a chemical compound with molecular formula C11H16N4O2 and molecular weight 236.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-pentylpurine-2,6-dione
Also Known As: 3-methyl-7-pentylpurine-2,6-dione, 3-Methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione, BAS 00286868, 3-methyl-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 3-Methyl-7-pentyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C11H16N4O2 |
|---|---|
| Molecular Weight | 236.13 g/mol |
| LogP | 0.6135 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.12732 |
| Heavy Atoms | 17 |
| Complexity | 634.93933 |
Chemical Identifiers
| CAS Number | 137003-08-8 |
|---|---|
| SMILES | CCCCCN1C=NC2=C1C(=O)NC(=O)N2C |
Product Overview
3-Methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione (CAS 137003-08-8), with molecular formula C11H16N4O2 and molecular weight 236.13 g/mol. IUPAC: 3-methyl-7-pentylpurine-2,6-dione.
Chemical Property Profile of 3-Methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 3-Methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.6135 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 3-Methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 3 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-pentyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 3-Methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione is 137003-08-8.
What is the molecular formula of 3-Methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 3-Methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione is C11H16N4O2.
What is the molecular weight of 3-Methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 3-Methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione is 236.13 g/mol.
Where can I buy 3-Methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 3-Methyl-7-pentyl-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-Methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.