BAS 06502921
TL;DR: BAS 06502921 (CAS 478253-05-3) is a chemical compound with molecular formula C17H25ClN6O3 and molecular weight 396.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(3-chlorobut-2-enyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethylpurine-2,6-dione
Also Known As: BAS 06502921, 7-(3-chlorobut-2-enyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethylpurine-2,6-dione, 7-(3-Chlorobut-2-en-1-yl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-[(2Z)-3-chlorobut-2-en-1-yl]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C17H25ClN6O3 |
|---|---|
| Molecular Weight | 396.17 g/mol |
| LogP | -0.3094 |
| Topological Polar Surface Area | 88.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.16766 |
| Heavy Atoms | 27 |
| Complexity | 977.1859 |
Chemical Identifiers
| CAS Number | 478253-05-3 |
|---|---|
| SMILES | CC(=CCN1C2=C(N=C1N3CCN(CC3)CCO)N(C(=O)N(C2=O)C)C)Cl |
Product Overview
BAS 06502921 (CAS 478253-05-3), with molecular formula C17H25ClN6O3 and molecular weight 396.17 g/mol. IUPAC: 7-(3-chlorobut-2-enyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of BAS 06502921
Property Insights of BAS 06502921
The XLogP value of -0.3094 indicates that BAS 06502921 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.53 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06502921. Following Lipinski's Rule of Five, BAS 06502921 has 1 hydrogen bond donor(s) and 6 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 BAS 06502921?
The CAS number of BAS 06502921 is 478253-05-3.
What is the molecular formula of BAS 06502921?
The molecular formula of BAS 06502921 is C17H25ClN6O3.
What is the molecular weight of BAS 06502921?
The molecular weight of BAS 06502921 is 396.17 g/mol.
Where can I buy BAS 06502921?
You can request a quote for BAS 06502921 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06502921?
Yes, KEHONG BIO provides custom synthesis services for BAS 06502921 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.