BAS 00458036
TL;DR: BAS 00458036 (CAS 102838-04-0) is a chemical compound with molecular formula C20H25N5O4 and molecular weight 399.19064 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-piperidin-1-ylpurine-2,6-dione
Also Known As: BAS 00458036, AB00684221-01, 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione, F0373-0623, 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-piperidin-1-ylpurine-2,6-dione
Technical Specifications
| Molecular Formula | C20H25N5O4 |
| Molecular Weight | 399.19064 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.19064 Da |
| Heavy Atoms | 29 |
| Complexity | 593.0 |
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC(COC4=CC=CC=C4)O |
| InChIKey | WZZZFYKZFBQDSA-UHFFFAOYSA-N |
Chemical Property Profile of BAS 00458036
Property Insights of BAS 00458036
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00458036. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00458036. Following Lipinski's Rule of Five, BAS 00458036 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of BAS 00458036?
The CAS number of BAS 00458036 is 102838-04-0.
What is the molecular formula of BAS 00458036?
The molecular formula of BAS 00458036 is C20H25N5O4.
What is the molecular weight of BAS 00458036?
The molecular weight of BAS 00458036 is 399.19064 g/mol.
Where can I buy BAS 00458036?
You can request a quote for BAS 00458036 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 00458036?
Yes, CoreyChem provides custom synthesis services for BAS 00458036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.