BAS 03041326
TL;DR: BAS 03041326 (CAS 378204-70-7) is a chemical compound with molecular formula C25H28N6O2 and molecular weight 444.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(4-phenylpiperazin-1-yl)purine-2,6-dione
Also Known As: BAS 03041326, 1,3-dimethyl-7-(3-methylbenzyl)-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione, 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(4-phenylpiperazin-1-yl)purine-2,6-dione, 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(4-phenylpiperazin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 1,3-Dimethyl-7-(3-methyl-benzyl)-8-(4-phenyl-piperazin-1-yl)-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C25H28N6O2 |
|---|---|
| Molecular Weight | 444.23 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.2274 |
| Heavy Atoms | 33 |
| Complexity | 720.0 |
Chemical Identifiers
| CAS Number | 378204-70-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)C5=CC=CC=C5)N(C(=O)N(C3=O)C)C |
| InChIKey | KKSOHENWFLATRN-UHFFFAOYSA-N |
Product Overview
BAS 03041326 (CAS 378204-70-7), with molecular formula C25H28N6O2 and molecular weight 444.23 g/mol. IUPAC: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(4-phenylpiperazin-1-yl)purine-2,6-dione.
Chemical Property Profile of BAS 03041326
Property Insights of BAS 03041326
The XLogP value of 3.6 indicates that BAS 03041326 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03041326. Following Lipinski's Rule of Five, BAS 03041326 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 03041326?
The CAS number of BAS 03041326 is 378204-70-7.
What is the molecular formula of BAS 03041326?
The molecular formula of BAS 03041326 is C25H28N6O2.
What is the molecular weight of BAS 03041326?
The molecular weight of BAS 03041326 is 444.23 g/mol.
Where can I buy BAS 03041326?
You can request a quote for BAS 03041326 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03041326?
Yes, KEHONG BIO provides custom synthesis services for BAS 03041326 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.