BAS 00444341
TL;DR: BAS 00444341 (CAS 61080-41-9) is a chemical compound with molecular formula C16H18N4O2 and molecular weight 298.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-butyl-1-methyl-8-phenyl-3H-purine-2,6-dione
Also Known As: BAS 00444341, 9-butyl-1-methyl-8-phenyl-3H-purine-2,6-dione, 9-Butyl-1-methyl-8-phenyl-3,9-dihydro-1H-purine-2,6-dione, 9-Butyl-1-methyl-8-phenyl-3,9-dihydro-purine-2,6-dione, 9-butyl-1-methyl-8-phenyl-1,3-dihydropurine-2,6-dione
| Molecular Formula | C16H18N4O2 |
|---|---|
| Molecular Weight | 298.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.14297 |
| Heavy Atoms | 22 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 61080-41-9 |
|---|---|
| SMILES | CCCCN1C2=C(C(=O)N(C(=O)N2)C)N=C1C3=CC=CC=C3 |
| InChIKey | RNZWTILXZREAFD-UHFFFAOYSA-N |
Product Overview
BAS 00444341 (CAS 61080-41-9), with molecular formula C16H18N4O2 and molecular weight 298.14 g/mol. IUPAC: 9-butyl-1-methyl-8-phenyl-3H-purine-2,6-dione.
Chemical Property Profile of BAS 00444341
Property Insights of BAS 00444341
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00444341. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00444341. Following Lipinski's Rule of Five, BAS 00444341 has 1 hydrogen bond donor(s) and 3 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 00444341?
The CAS number of BAS 00444341 is 61080-41-9.
What is the molecular formula of BAS 00444341?
The molecular formula of BAS 00444341 is C16H18N4O2.
What is the molecular weight of BAS 00444341?
The molecular weight of BAS 00444341 is 298.14 g/mol.
Where can I buy BAS 00444341?
You can request a quote for BAS 00444341 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00444341?
Yes, KEHONG BIO provides custom synthesis services for BAS 00444341 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.