BAS 06502901
TL;DR: BAS 06502901 (CAS 478252-97-0) is a chemical compound with molecular formula C16H23ClN6O3 and molecular weight 382.15 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]-3-methylpurine-2,6-dione
Also Known As: BAS 06502901, 7-(3-chlorobut-2-enyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylpurine-2,6-dione, 7-(3-Chlorobut-2-en-1-yl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[(2Z)-3-chlorobut-2-en-1-yl]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C16H23ClN6O3 |
|---|---|
| Molecular Weight | 382.15 g/mol |
| LogP | -0.3198 |
| Topological Polar Surface Area | 99.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.152 |
| Heavy Atoms | 26 |
| Complexity | 931.83374 |
Chemical Identifiers
| CAS Number | 478252-97-0 |
|---|---|
| SMILES | CC(=CCN1C2=C(N=C1N3CCN(CC3)CCO)N(C(=O)NC2=O)C)Cl |
Product Overview
BAS 06502901 (CAS 478252-97-0), with molecular formula C16H23ClN6O3 and molecular weight 382.15 g/mol. IUPAC: 7-(3-chlorobut-2-enyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 06502901
Property Insights of BAS 06502901
The XLogP value of -0.3198 indicates that BAS 06502901 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.39 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06502901. Following Lipinski's Rule of Five, BAS 06502901 has 2 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 06502901?
The CAS number of BAS 06502901 is 478252-97-0.
What is the molecular formula of BAS 06502901?
The molecular formula of BAS 06502901 is C16H23ClN6O3.
What is the molecular weight of BAS 06502901?
The molecular weight of BAS 06502901 is 382.15 g/mol.
Where can I buy BAS 06502901?
You can request a quote for BAS 06502901 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06502901?
Yes, KEHONG BIO provides custom synthesis services for BAS 06502901 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.