7-(3-Chlorobut-2-enyl)-1,3-dimethyl-8-(2-phenylethylamino)purine-2,6-dione
TL;DR: 7-(3-Chlorobut-2-enyl)-1,3-dimethyl-8-(2-phenylethylamino)purine-2,6-dione (CAS 478252-96-9) is a chemical compound with molecular formula C19H22ClN5O2 and molecular weight 387.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-(2-phenylethylamino)purine-2,6-dione
Also Known As: ML146 Analog, 7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-(phenethylamino)purine-2,6-dione, 7-(3-Chlorobut-2-en-1-yl)-1,3-dimethyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione, 7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-(2-phenylethylamino)purine-2,6-dione, 7-[(2Z)-3-chlorobut-2-en-1-yl]-1,3-dimethyl-8-[(2-phenylethyl)amino]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C19H22ClN5O2 |
|---|---|
| Molecular Weight | 387.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.1462 |
| Heavy Atoms | 27 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 478252-96-9 |
|---|---|
| SMILES | CC(=CCN1C2=C(N=C1NCCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C)Cl |
| InChIKey | KWMZBBBMSTVLLF-UHFFFAOYSA-N |
Product Overview
7-(3-Chlorobut-2-enyl)-1,3-dimethyl-8-(2-phenylethylamino)purine-2,6-dione (CAS 478252-96-9), with molecular formula C19H22ClN5O2 and molecular weight 387.15 g/mol. IUPAC: 7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-(2-phenylethylamino)purine-2,6-dione.
Chemical Property Profile of 7-(3-Chlorobut-2-enyl)-1,3-dimethyl-8-(2-phenylethylamino)purine-2,6-dione
Property Insights of 7-(3-Chlorobut-2-enyl)-1,3-dimethyl-8-(2-phenylethylamino)purine-2,6-dione
The XLogP value of 3.2 indicates that 7-(3-Chlorobut-2-enyl)-1,3-dimethyl-8-(2-phenylethylamino)purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-Chlorobut-2-enyl)-1,3-dimethyl-8-(2-phenylethylamino)purine-2,6-dione. Following Lipinski's Rule of Five, 7-(3-Chlorobut-2-enyl)-1,3-dimethyl-8-(2-phenylethylamino)purine-2,6-dione has 1 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-(3-Chlorobut-2-enyl)-1,3-dimethyl-8-(2-phenylethylamino)purine-2,6-dione?
The CAS number of 7-(3-Chlorobut-2-enyl)-1,3-dimethyl-8-(2-phenylethylamino)purine-2,6-dione is 478252-96-9.
What is the molecular formula of 7-(3-Chlorobut-2-enyl)-1,3-dimethyl-8-(2-phenylethylamino)purine-2,6-dione?
The molecular formula of 7-(3-Chlorobut-2-enyl)-1,3-dimethyl-8-(2-phenylethylamino)purine-2,6-dione is C19H22ClN5O2.
What is the molecular weight of 7-(3-Chlorobut-2-enyl)-1,3-dimethyl-8-(2-phenylethylamino)purine-2,6-dione?
The molecular weight of 7-(3-Chlorobut-2-enyl)-1,3-dimethyl-8-(2-phenylethylamino)purine-2,6-dione is 387.15 g/mol.
Where can I buy 7-(3-Chlorobut-2-enyl)-1,3-dimethyl-8-(2-phenylethylamino)purine-2,6-dione?
You can request a quote for 7-(3-Chlorobut-2-enyl)-1,3-dimethyl-8-(2-phenylethylamino)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-(2-phenylethylamino)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(3-Chlorobut-2-enyl)-1,3-dimethyl-8-(2-phenylethylamino)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.