BAS 00733797
TL;DR: BAS 00733797 (CAS 420098-46-0) is a chemical compound with molecular formula C16H14BrN3O3 and molecular weight 375.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
Also Known As: BAS 00733797, 2-[1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-1-oxopropan-2-yl]-1H-isoindole-1,3(2H)-dione, 2-(1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-1-oxopropan-2-yl)isoindoline-1,3-dione, 2-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione, 2-[2-(4-bromo-3,5-dimethylpyrazolyl)-1-methyl-2-oxoethyl]benzo[c]azolidine-1,3 -dione
| Molecular Formula | C16H14BrN3O3 |
|---|---|
| Molecular Weight | 375.02 g/mol |
| LogP | 2.58734 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 375.02185 |
| Heavy Atoms | 23 |
| Complexity | 821.2505 |
Chemical Identifiers
| CAS Number | 420098-46-0 |
|---|---|
| SMILES | CC1=C(C(=NN1C(=O)C(C)N2C(=O)C3=CC=CC=C3C2=O)C)Br |
Product Overview
BAS 00733797 (CAS 420098-46-0), with molecular formula C16H14BrN3O3 and molecular weight 375.02 g/mol. IUPAC: 2-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione.
Chemical Property Profile of BAS 00733797
Property Insights of BAS 00733797
The XLogP value of 2.58734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00733797. The TPSA of 72.27 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00733797. Following Lipinski's Rule of Five, BAS 00733797 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 00733797?
The CAS number of BAS 00733797 is 420098-46-0.
What is the molecular formula of BAS 00733797?
The molecular formula of BAS 00733797 is C16H14BrN3O3.
What is the molecular weight of BAS 00733797?
The molecular weight of BAS 00733797 is 375.02 g/mol.
Where can I buy BAS 00733797?
You can request a quote for BAS 00733797 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00733797?
Yes, KEHONG BIO provides custom synthesis services for BAS 00733797 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.