BAS 09857779
TL;DR: BAS 09857779 (CAS 876712-45-7) is a chemical compound with molecular formula C15H17FN6O2 and molecular weight 332.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-aminoethylamino)-7-[(4-fluorophenyl)methyl]-3-methylpurine-2,6-dione
Also Known As: BAS 09857779, 8-(2-aminoethylamino)-7-[(4-fluorophenyl)methyl]-3-methylpurine-2,6-dione, 8-((2-aminoethyl)amino)-7-(4-fluorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-[(2-aminoethyl)amino]-7-(4-fluorobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C15H17FN6O2 |
|---|---|
| Molecular Weight | 332.14 g/mol |
| LogP | -0.0187 |
| Topological Polar Surface Area | 110.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.1397 |
| Heavy Atoms | 24 |
| Complexity | 986.0974 |
Chemical Identifiers
| CAS Number | 876712-45-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN)CC3=CC=C(C=C3)F |
Product Overview
BAS 09857779 (CAS 876712-45-7), with molecular formula C15H17FN6O2 and molecular weight 332.14 g/mol. IUPAC: 8-(2-aminoethylamino)-7-[(4-fluorophenyl)methyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 09857779
Property Insights of BAS 09857779
The XLogP value of -0.0187 indicates that BAS 09857779 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.73 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09857779. Following Lipinski's Rule of Five, BAS 09857779 has 3 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 BAS 09857779?
The CAS number of BAS 09857779 is 876712-45-7.
What is the molecular formula of BAS 09857779?
The molecular formula of BAS 09857779 is C15H17FN6O2.
What is the molecular weight of BAS 09857779?
The molecular weight of BAS 09857779 is 332.14 g/mol.
Where can I buy BAS 09857779?
You can request a quote for BAS 09857779 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09857779?
Yes, KEHONG BIO provides custom synthesis services for BAS 09857779 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.