BAS 01122562
TL;DR: BAS 01122562 (CAS 313403-94-0) is a chemical compound with molecular formula C17H28N6O4 and molecular weight 380.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
Also Known As: BAS 01122562, 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione, 7-(2-hydroxy-3-isopropoxypropyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione, 7-(2-hydroxy-3-isopropoxypropyl)-3-methyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione, 7-[2-hydroxy-3-(methylethoxy)propyl]-3-methyl-8-(4-methylpiperazinyl)-1,3,7-tr ihydropurine-2,6-dione
| Molecular Formula | C17H28N6O4 |
|---|---|
| Molecular Weight | 380.22 g/mol |
| LogP | -1.039 |
| Topological Polar Surface Area | 108.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.2172 |
| Heavy Atoms | 27 |
| Complexity | 906.51 |
Chemical Identifiers
| CAS Number | 313403-94-0 |
|---|---|
| SMILES | CC(C)OCC(CN1C2=C(N=C1N3CCN(CC3)C)N(C(=O)NC2=O)C)O |
Product Overview
BAS 01122562 (CAS 313403-94-0), with molecular formula C17H28N6O4 and molecular weight 380.22 g/mol. IUPAC: 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione.
Chemical Property Profile of BAS 01122562
Property Insights of BAS 01122562
The XLogP value of -1.039 indicates that BAS 01122562 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.62 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01122562. Following Lipinski's Rule of Five, BAS 01122562 has 2 hydrogen bond donor(s) and 7 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 01122562?
The CAS number of BAS 01122562 is 313403-94-0.
What is the molecular formula of BAS 01122562?
The molecular formula of BAS 01122562 is C17H28N6O4.
What is the molecular weight of BAS 01122562?
The molecular weight of BAS 01122562 is 380.22 g/mol.
Where can I buy BAS 01122562?
You can request a quote for BAS 01122562 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01122562?
Yes, KEHONG BIO provides custom synthesis services for BAS 01122562 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.