BAS 01128586
TL;DR: BAS 01128586 (CAS 332116-01-5) is a chemical compound with molecular formula C19H22FN5O2 and molecular weight 371.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione
Also Known As: BAS 01128586, 7-(2-fluorobenzyl)-1,3-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione, 7-[(2-FLUOROPHENYL)METHYL]-1,3-DIMETHYL-8-(PIPERIDIN-1-YL)-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE, 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione, 7-(2-Fluoro-benzyl)-1,3-dimethyl-8-piperidin-1-yl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C19H22FN5O2 |
|---|---|
| Molecular Weight | 371.18 g/mol |
| LogP | 1.6114 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.17575 |
| Heavy Atoms | 27 |
| Complexity | 1121.556 |
Chemical Identifiers
| CAS Number | 332116-01-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CC4=CC=CC=C4F |
Product Overview
BAS 01128586 (CAS 332116-01-5), with molecular formula C19H22FN5O2 and molecular weight 371.18 g/mol. IUPAC: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione.
Chemical Property Profile of BAS 01128586
Property Insights of BAS 01128586
The XLogP value of 1.6114 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01128586. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01128586. Following Lipinski's Rule of Five, BAS 01128586 has 0 hydrogen bond donor(s) and 4 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 01128586?
The CAS number of BAS 01128586 is 332116-01-5.
What is the molecular formula of BAS 01128586?
The molecular formula of BAS 01128586 is C19H22FN5O2.
What is the molecular weight of BAS 01128586?
The molecular weight of BAS 01128586 is 371.18 g/mol.
Where can I buy BAS 01128586?
You can request a quote for BAS 01128586 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01128586?
Yes, KEHONG BIO provides custom synthesis services for BAS 01128586 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.