BAS 01129947
TL;DR: BAS 01129947 (CAS 314042-91-6) is a chemical compound with molecular formula C19H21FN6O3 and molecular weight 400.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
Also Known As: BAS 01129947, 7-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione, 7-(2-(4-(4-fluorophenyl)piperazin-1-yl)-2-oxoethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-{2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C19H21FN6O3 |
|---|---|
| Molecular Weight | 400.17 g/mol |
| LogP | -0.0784 |
| Topological Polar Surface Area | 85.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.16592 |
| Heavy Atoms | 29 |
| Complexity | 1185.6053 |
Chemical Identifiers
| CAS Number | 314042-91-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)F |
Product Overview
BAS 01129947 (CAS 314042-91-6), with molecular formula C19H21FN6O3 and molecular weight 400.17 g/mol. IUPAC: 7-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of BAS 01129947
Property Insights of BAS 01129947
The XLogP value of -0.0784 indicates that BAS 01129947 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 85.37 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01129947. Following Lipinski's Rule of Five, BAS 01129947 has 0 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 01129947?
The CAS number of BAS 01129947 is 314042-91-6.
What is the molecular formula of BAS 01129947?
The molecular formula of BAS 01129947 is C19H21FN6O3.
What is the molecular weight of BAS 01129947?
The molecular weight of BAS 01129947 is 400.17 g/mol.
Where can I buy BAS 01129947?
You can request a quote for BAS 01129947 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01129947?
Yes, KEHONG BIO provides custom synthesis services for BAS 01129947 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.