3-Butyl-1-(prop-2-en-1-yl)-3,9-dihydro-1H-purine-2,6-dione
TL;DR: 3-Butyl-1-(prop-2-en-1-yl)-3,9-dihydro-1H-purine-2,6-dione (CAS 81250-15-9) is a chemical compound with molecular formula C12H16N4O2 and molecular weight 248.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-1-prop-2-enyl-7H-purine-2,6-dione
Also Known As: 1-allyl-3-butyl xanthine, 1-Allyl-3-butylbutylxanthine, J2.025.862D, 3-butyl-1-prop-2-enyl-7H-purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-3-butyl-1-(2-propenyl)-
| Molecular Formula | C12H16N4O2 |
|---|---|
| Molecular Weight | 248.13 g/mol |
| LogP | 0.8724 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.12732 |
| Heavy Atoms | 18 |
| Complexity | 677.4227 |
Chemical Identifiers
| CAS Number | 81250-15-9 |
|---|---|
| SMILES | CCCCN1C2=C(C(=O)N(C1=O)CC=C)NC=N2 |
Product Overview
3-Butyl-1-(prop-2-en-1-yl)-3,9-dihydro-1H-purine-2,6-dione (CAS 81250-15-9), with molecular formula C12H16N4O2 and molecular weight 248.13 g/mol. IUPAC: 3-butyl-1-prop-2-enyl-7H-purine-2,6-dione.
Chemical Property Profile of 3-Butyl-1-(prop-2-en-1-yl)-3,9-dihydro-1H-purine-2,6-dione
Property Insights of 3-Butyl-1-(prop-2-en-1-yl)-3,9-dihydro-1H-purine-2,6-dione
The XLogP value of 0.8724 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butyl-1-(prop-2-en-1-yl)-3,9-dihydro-1H-purine-2,6-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Butyl-1-(prop-2-en-1-yl)-3,9-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 3-Butyl-1-(prop-2-en-1-yl)-3,9-dihydro-1H-purine-2,6-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-Butyl-1-(prop-2-en-1-yl)-3,9-dihydro-1H-purine-2,6-dione?
The CAS number of 3-Butyl-1-(prop-2-en-1-yl)-3,9-dihydro-1H-purine-2,6-dione is 81250-15-9.
What is the molecular formula of 3-Butyl-1-(prop-2-en-1-yl)-3,9-dihydro-1H-purine-2,6-dione?
The molecular formula of 3-Butyl-1-(prop-2-en-1-yl)-3,9-dihydro-1H-purine-2,6-dione is C12H16N4O2.
What is the molecular weight of 3-Butyl-1-(prop-2-en-1-yl)-3,9-dihydro-1H-purine-2,6-dione?
The molecular weight of 3-Butyl-1-(prop-2-en-1-yl)-3,9-dihydro-1H-purine-2,6-dione is 248.13 g/mol.
Where can I buy 3-Butyl-1-(prop-2-en-1-yl)-3,9-dihydro-1H-purine-2,6-dione?
You can request a quote for 3-Butyl-1-(prop-2-en-1-yl)-3,9-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-Butyl-1-(prop-2-en-1-yl)-3,9-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyl-1-(prop-2-en-1-yl)-3,9-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.