BAS 00458038
TL;DR: BAS 00458038 (CAS 102838-06-2) is a chemical compound with molecular formula C21H27N5O4 and molecular weight 413.2063 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-(azepan-1-yl)-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione
Also Known As: BAS 00458038, 8-(azepan-1-yl)-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, Azulene,2-chloro-1,2,3,4,5,6,7,8-octahydro, BRD-A75618549-001-01-2, F0373-0625
Technical Specifications
| Molecular Formula | C21H27N5O4 |
| Molecular Weight | 413.2063 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.2063 Da |
| Heavy Atoms | 30 |
| Complexity | 606.0 |
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CC(COC4=CC=CC=C4)O |
| InChIKey | HBPRUXIBKWXSSG-UHFFFAOYSA-N |
Chemical Property Profile of BAS 00458038
Property Insights of BAS 00458038
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00458038. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00458038. Following Lipinski's Rule of Five, BAS 00458038 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 00458038?
The CAS number of BAS 00458038 is 102838-06-2.
What is the molecular formula of BAS 00458038?
The molecular formula of BAS 00458038 is C21H27N5O4.
What is the molecular weight of BAS 00458038?
The molecular weight of BAS 00458038 is 413.2063 g/mol.
Where can I buy BAS 00458038?
You can request a quote for BAS 00458038 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 00458038?
Yes, CoreyChem provides custom synthesis services for BAS 00458038 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.