BAS 03033741
TL;DR: BAS 03033741 (CAS 349441-41-4) is a chemical compound with molecular formula C21H26N6O3 and molecular weight 410.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
Also Known As: BAS 03033741, 7-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione, 7-(2-(4-(2,3-dimethylphenyl)piperazin-1-yl)-2-oxoethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-{2-[4-(2,3-Dimethyl-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C21H26N6O3 |
|---|---|
| Molecular Weight | 410.21 g/mol |
| LogP | 0.39934 |
| Topological Polar Surface Area | 85.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.20663 |
| Heavy Atoms | 30 |
| Complexity | 1244.0858 |
Chemical Identifiers
| CAS Number | 349441-41-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C)C |
Product Overview
BAS 03033741 (CAS 349441-41-4), with molecular formula C21H26N6O3 and molecular weight 410.21 g/mol. IUPAC: 7-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of BAS 03033741
Property Insights of BAS 03033741
The XLogP value of 0.39934 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03033741. The TPSA of 85.37 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03033741. Following Lipinski's Rule of Five, BAS 03033741 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 03033741?
The CAS number of BAS 03033741 is 349441-41-4.
What is the molecular formula of BAS 03033741?
The molecular formula of BAS 03033741 is C21H26N6O3.
What is the molecular weight of BAS 03033741?
The molecular weight of BAS 03033741 is 410.21 g/mol.
Where can I buy BAS 03033741?
You can request a quote for BAS 03033741 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03033741?
Yes, KEHONG BIO provides custom synthesis services for BAS 03033741 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.