BAS 02999172
TL;DR: BAS 02999172 (CAS 333755-25-2) is a chemical compound with molecular formula C19H19FN6O2 and molecular weight 382.16 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-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: BAS 02999172, F0887-0108, 8-(3,5-dimethyl-1H-pyrazol-1-yl)-7-(4-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-(3,5-dimethyl-1H-pyrazol-1-yl)-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-(3,5-dimethylpyrazol-1-yl)-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C19H19FN6O2 |
|---|---|
| Molecular Weight | 382.16 g/mol |
| LogP | 1.42364 |
| Topological Polar Surface Area | 79.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.15536 |
| Heavy Atoms | 28 |
| Complexity | 1323.9453 |
Chemical Identifiers
| CAS Number | 333755-25-2 |
|---|---|
| SMILES | CC1=CC(=NN1C2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)N(C(=O)N3C)C)C |
Product Overview
BAS 02999172 (CAS 333755-25-2), with molecular formula C19H19FN6O2 and molecular weight 382.16 g/mol. IUPAC: 8-(3,5-dimethylpyrazol-1-yl)-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of BAS 02999172
Property Insights of BAS 02999172
The XLogP value of 1.42364 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02999172. The TPSA of 79.64 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02999172. Following Lipinski's Rule of Five, BAS 02999172 has 0 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 02999172?
The CAS number of BAS 02999172 is 333755-25-2.
What is the molecular formula of BAS 02999172?
The molecular formula of BAS 02999172 is C19H19FN6O2.
What is the molecular weight of BAS 02999172?
The molecular weight of BAS 02999172 is 382.16 g/mol.
Where can I buy BAS 02999172?
You can request a quote for BAS 02999172 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02999172?
Yes, KEHONG BIO provides custom synthesis services for BAS 02999172 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.