BAS 00553017
TL;DR: BAS 00553017 (CAS 304871-37-2) is a chemical compound with molecular formula C20H22N6O4 and molecular weight 410.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3,5-dimethylpyrazol-1-yl)-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione
Also Known As: BAS 00553017, 8-(3,5-dimethylpyrazol-1-yl)-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione, 8-(3,5-dimethyl-1H-pyrazol-1-yl)-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-(3,5-dimethyl-1H-pyrazol-1-yl)-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-(3,5-dimethyl-1H-pyrazol-1-yl)-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C20H22N6O4 |
|---|---|
| Molecular Weight | 410.17 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.17026 |
| Heavy Atoms | 30 |
| Complexity | 645.0 |
Chemical Identifiers
| CAS Number | 304871-37-2 |
|---|---|
| SMILES | CC1=CC(=NN1C2=NC3=C(N2CC(COC4=CC=CC=C4)O)C(=O)NC(=O)N3C)C |
| InChIKey | VWKXRADRCYQFAQ-UHFFFAOYSA-N |
Product Overview
BAS 00553017 (CAS 304871-37-2), with molecular formula C20H22N6O4 and molecular weight 410.17 g/mol. IUPAC: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00553017
Property Insights of BAS 00553017
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00553017. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00553017. Following Lipinski's Rule of Five, BAS 00553017 has 2 hydrogen bond donor(s) and 6 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 00553017?
The CAS number of BAS 00553017 is 304871-37-2.
What is the molecular formula of BAS 00553017?
The molecular formula of BAS 00553017 is C20H22N6O4.
What is the molecular weight of BAS 00553017?
The molecular weight of BAS 00553017 is 410.17 g/mol.
Where can I buy BAS 00553017?
You can request a quote for BAS 00553017 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00553017?
Yes, KEHONG BIO provides custom synthesis services for BAS 00553017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.