BAS 04914666
TL;DR: BAS 04914666 (CAS 442864-67-7) 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-[1,3-dimethyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]piperidine-4-carboxamide
Also Known As: BAS 04914666, VU0488981-1, AB00147685-02, 1-(1,3-dimethyl-2,6-dioxo-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide, F1191-0058
| Molecular Formula | C22H28N6O3 |
|---|---|
| Molecular Weight | 424.22 g/mol |
| LogP | 0.7682 |
| Topological Polar Surface Area | 108.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.2223 |
| Heavy Atoms | 31 |
| Complexity | 1216.0026 |
Chemical Identifiers
| CAS Number | 442864-67-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC(CC3)C(=O)N)CCCC4=CC=CC=C4 |
Product Overview
BAS 04914666 (CAS 442864-67-7), with molecular formula C22H28N6O3 and molecular weight 424.22 g/mol. IUPAC: 1-[1,3-dimethyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]piperidine-4-carboxamide.
Chemical Property Profile of BAS 04914666
Property Insights of BAS 04914666
The XLogP value of 0.7682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04914666. The TPSA of 108.15 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04914666. Following Lipinski's Rule of Five, BAS 04914666 has 1 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 04914666?
The CAS number of BAS 04914666 is 442864-67-7.
What is the molecular formula of BAS 04914666?
The molecular formula of BAS 04914666 is C22H28N6O3.
What is the molecular weight of BAS 04914666?
The molecular weight of BAS 04914666 is 424.22 g/mol.
Where can I buy BAS 04914666?
You can request a quote for BAS 04914666 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04914666?
Yes, KEHONG BIO provides custom synthesis services for BAS 04914666 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.