BAS 01122514
TL;DR: BAS 01122514 (CAS 313396-00-8) is a chemical compound with molecular formula C20H26N6O4 and molecular weight 414.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione
Also Known As: BAS 01122514, F0374-0036, 7-(2-hydroxy-3-(o-tolyloxy)propyl)-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione, 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione, 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(piperazin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C20H26N6O4 |
|---|---|
| Molecular Weight | 414.20 g/mol |
| LogP | -0.41878 |
| Topological Polar Surface Area | 117.41 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.20154 |
| Heavy Atoms | 30 |
| Complexity | 1158.2936 |
Chemical Identifiers
| CAS Number | 313396-00-8 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC(CN2C3=C(N=C2N4CCNCC4)N(C(=O)NC3=O)C)O |
Product Overview
BAS 01122514 (CAS 313396-00-8), with molecular formula C20H26N6O4 and molecular weight 414.20 g/mol. IUPAC: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione.
Chemical Property Profile of BAS 01122514
Property Insights of BAS 01122514
The XLogP value of -0.41878 indicates that BAS 01122514 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.41 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01122514. Following Lipinski's Rule of Five, BAS 01122514 has 3 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 01122514?
The CAS number of BAS 01122514 is 313396-00-8.
What is the molecular formula of BAS 01122514?
The molecular formula of BAS 01122514 is C20H26N6O4.
What is the molecular weight of BAS 01122514?
The molecular weight of BAS 01122514 is 414.20 g/mol.
Where can I buy BAS 01122514?
You can request a quote for BAS 01122514 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01122514?
Yes, KEHONG BIO provides custom synthesis services for BAS 01122514 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.