BAS 00553018
TL;DR: BAS 00553018 (CAS 189126-92-9) is a chemical compound with molecular formula C21H32N6O2 and molecular weight 400.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-decyl-8-(3,5-dimethylpyrazol-1-yl)-3-methylpurine-2,6-dione
Also Known As: BAS 00553018, 7-decyl-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 7-decyl-8-(3,5-dimethylpyrazol-1-yl)-3-methylpurine-2,6-dione, 7-decyl-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-Decyl-8-(3,5-dimethyl-pyrazol-1-yl)-3-methyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C21H32N6O2 |
|---|---|
| Molecular Weight | 400.26 g/mol |
| LogP | 3.36654 |
| Topological Polar Surface Area | 90.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 400.25867 |
| Heavy Atoms | 29 |
| Complexity | 1085.2056 |
Chemical Identifiers
| CAS Number | 189126-92-9 |
|---|---|
| SMILES | CCCCCCCCCCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)NC2=O)C |
Product Overview
BAS 00553018 (CAS 189126-92-9), with molecular formula C21H32N6O2 and molecular weight 400.26 g/mol. IUPAC: 7-decyl-8-(3,5-dimethylpyrazol-1-yl)-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00553018
Property Insights of BAS 00553018
The XLogP value of 3.36654 indicates that BAS 00553018 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00553018. Following Lipinski's Rule of Five, BAS 00553018 has 1 hydrogen bond donor(s) and 4 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 00553018?
The CAS number of BAS 00553018 is 189126-92-9.
What is the molecular formula of BAS 00553018?
The molecular formula of BAS 00553018 is C21H32N6O2.
What is the molecular weight of BAS 00553018?
The molecular weight of BAS 00553018 is 400.26 g/mol.
Where can I buy BAS 00553018?
You can request a quote for BAS 00553018 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00553018?
Yes, KEHONG BIO provides custom synthesis services for BAS 00553018 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.