3-Butyl-8-hydroxymethyl-7-propyl-3,7-dihydro-purine-2,6-dione
TL;DR: 3-Butyl-8-hydroxymethyl-7-propyl-3,7-dihydro-purine-2,6-dione (CAS 730949-70-9) is a chemical compound with molecular formula C13H20N4O3 and molecular weight 280.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-8-(hydroxymethyl)-7-propylpurine-2,6-dione
Also Known As: 3-Butyl-8-hydroxymethyl-7-propyl-3,7-dihydro-purine-2,6-dione, 3-butyl-8-(hydroxymethyl)-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 3-butyl-8-(hydroxymethyl)-7-propylpurine-2,6-dione, 3-Butyl-8-(hydroxymethyl)-7-propyl-1H-purine-2,6(3H,7H)-dione, 3-Butyl-8-(hydroxymethyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C13H20N4O3 |
|---|---|
| Molecular Weight | 280.15 g/mol |
| LogP | 0.5887 |
| Topological Polar Surface Area | 92.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 280.15353 |
| Heavy Atoms | 20 |
| Complexity | 710.7002 |
Chemical Identifiers
| CAS Number | 730949-70-9 |
|---|---|
| SMILES | CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CO)CCC |
Product Overview
3-Butyl-8-hydroxymethyl-7-propyl-3,7-dihydro-purine-2,6-dione (CAS 730949-70-9), with molecular formula C13H20N4O3 and molecular weight 280.15 g/mol. IUPAC: 3-butyl-8-(hydroxymethyl)-7-propylpurine-2,6-dione.
Chemical Property Profile of 3-Butyl-8-hydroxymethyl-7-propyl-3,7-dihydro-purine-2,6-dione
Property Insights of 3-Butyl-8-hydroxymethyl-7-propyl-3,7-dihydro-purine-2,6-dione
The XLogP value of 0.5887 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butyl-8-hydroxymethyl-7-propyl-3,7-dihydro-purine-2,6-dione. The TPSA of 92.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Butyl-8-hydroxymethyl-7-propyl-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 3-Butyl-8-hydroxymethyl-7-propyl-3,7-dihydro-purine-2,6-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-Butyl-8-hydroxymethyl-7-propyl-3,7-dihydro-purine-2,6-dione?
The CAS number of 3-Butyl-8-hydroxymethyl-7-propyl-3,7-dihydro-purine-2,6-dione is 730949-70-9.
What is the molecular formula of 3-Butyl-8-hydroxymethyl-7-propyl-3,7-dihydro-purine-2,6-dione?
The molecular formula of 3-Butyl-8-hydroxymethyl-7-propyl-3,7-dihydro-purine-2,6-dione is C13H20N4O3.
What is the molecular weight of 3-Butyl-8-hydroxymethyl-7-propyl-3,7-dihydro-purine-2,6-dione?
The molecular weight of 3-Butyl-8-hydroxymethyl-7-propyl-3,7-dihydro-purine-2,6-dione is 280.15 g/mol.
Where can I buy 3-Butyl-8-hydroxymethyl-7-propyl-3,7-dihydro-purine-2,6-dione?
You can request a quote for 3-Butyl-8-hydroxymethyl-7-propyl-3,7-dihydro-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-Butyl-8-hydroxymethyl-7-propyl-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyl-8-hydroxymethyl-7-propyl-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.