BAS 09977587
TL;DR: BAS 09977587 (CAS 868147-09-5) is a chemical compound with molecular formula C22H28N6O3 and molecular weight 424.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-(3-oxobutan-2-yl)-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione
Also Known As: BAS 09977587, VU0489483-1, F1717-0042, 1,3-dimethyl-7-(3-oxobutan-2-yl)-8-((4-phenylpiperazin-1-yl)methyl)-1H-purine-2,6(3H,7H)-dione, 1,3-dimethyl-7-(3-oxobutan-2-yl)-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione
| Molecular Formula | C22H28N6O3 |
|---|---|
| Molecular Weight | 424.22 g/mol |
| LogP | 0.9059 |
| Topological Polar Surface Area | 85.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.2223 |
| Heavy Atoms | 31 |
| Complexity | 1232.0952 |
Chemical Identifiers
| CAS Number | 868147-09-5 |
|---|---|
| SMILES | CC(C(=O)C)N1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=CC=C4 |
Product Overview
BAS 09977587 (CAS 868147-09-5), with molecular formula C22H28N6O3 and molecular weight 424.22 g/mol. IUPAC: 1,3-dimethyl-7-(3-oxobutan-2-yl)-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione.
Chemical Property Profile of BAS 09977587
Property Insights of BAS 09977587
The XLogP value of 0.9059 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 09977587. The TPSA of 85.37 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09977587. Following Lipinski's Rule of Five, BAS 09977587 has 0 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 09977587?
The CAS number of BAS 09977587 is 868147-09-5.
What is the molecular formula of BAS 09977587?
The molecular formula of BAS 09977587 is C22H28N6O3.
What is the molecular weight of BAS 09977587?
The molecular weight of BAS 09977587 is 424.22 g/mol.
Where can I buy BAS 09977587?
You can request a quote for BAS 09977587 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09977587?
Yes, KEHONG BIO provides custom synthesis services for BAS 09977587 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.