7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
TL;DR: 7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione (CAS 332897-97-9) is a chemical compound with molecular formula C16H23ClN6O2 and molecular weight 366.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(E)-3-chlorobut-2-enyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
Also Known As: 7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione, 7-[(E)-3-chlorobut-2-enyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione, (E)-7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione, 7-[(2E)-3-chlorobut-2-en-1-yl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C16H23ClN6O2 |
|---|---|
| Molecular Weight | 366.16 g/mol |
| LogP | 0.3281 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.1571 |
| Heavy Atoms | 25 |
| Complexity | 942.1564 |
Chemical Identifiers
| CAS Number | 332897-97-9 |
|---|---|
| SMILES | C/C(=C\CN1C2=C(N=C1N3CCN(CC3)C)N(C(=O)N(C2=O)C)C)/Cl |
Product Overview
7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione (CAS 332897-97-9), with molecular formula C16H23ClN6O2 and molecular weight 366.16 g/mol. IUPAC: 7-[(E)-3-chlorobut-2-enyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione.
Chemical Property Profile of 7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
Property Insights of 7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
The XLogP value of 0.3281 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione. Following Lipinski's Rule of Five, 7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione has 0 hydrogen bond donor(s) and 5 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-(3-chlorobut-2-enyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione?
The CAS number of 7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione is 332897-97-9.
What is the molecular formula of 7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione?
The molecular formula of 7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione is C16H23ClN6O2.
What is the molecular weight of 7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione?
The molecular weight of 7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione is 366.16 g/mol.
Where can I buy 7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione?
You can request a quote for 7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)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-(3-chlorobut-2-enyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.