BAS 12401032
TL;DR: BAS 12401032 (CAS 862198-32-1) is a chemical compound with molecular formula C20H25N5O3 and molecular weight 383.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-benzylpiperidin-1-yl)-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione
Also Known As: BAS 12401032, VU0630740-1, 8-(4-benzylpiperidin-1-yl)-7-(2-hydroxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, F5032-0008, 8-(4-benzylpiperidin-1-yl)-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione
| Molecular Formula | C20H25N5O3 |
|---|---|
| Molecular Weight | 383.20 g/mol |
| LogP | 0.8747 |
| Topological Polar Surface Area | 96.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.19574 |
| Heavy Atoms | 28 |
| Complexity | 1074.8997 |
Chemical Identifiers
| CAS Number | 862198-32-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)CC4=CC=CC=C4)CCO |
Product Overview
BAS 12401032 (CAS 862198-32-1), with molecular formula C20H25N5O3 and molecular weight 383.20 g/mol. IUPAC: 8-(4-benzylpiperidin-1-yl)-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 12401032
Property Insights of BAS 12401032
The XLogP value of 0.8747 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12401032. The TPSA of 96.15 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12401032. Following Lipinski's Rule of Five, BAS 12401032 has 2 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 12401032?
The CAS number of BAS 12401032 is 862198-32-1.
What is the molecular formula of BAS 12401032?
The molecular formula of BAS 12401032 is C20H25N5O3.
What is the molecular weight of BAS 12401032?
The molecular weight of BAS 12401032 is 383.20 g/mol.
Where can I buy BAS 12401032?
You can request a quote for BAS 12401032 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12401032?
Yes, KEHONG BIO provides custom synthesis services for BAS 12401032 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.