ChemDiv1_006949
TL;DR: ChemDiv1_006949 (CAS 403735-51-3) 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-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-oxopropyl]isoindole-1,3-dione
Also Known As: ChemDiv1_006949, BIM-0030828.P001, 2-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]-1H-isoindole-1,3(2H)-dione, 2-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-oxopropyl]isoindole-1,3-dione, 2-(3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropyl)isoindoline-1,3-dione
| Molecular Formula | C16H14BrN3O3 |
|---|---|
| Molecular Weight | 375.02 g/mol |
| LogP | 2.58894 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.02185 |
| Heavy Atoms | 23 |
| Complexity | 806.0912 |
Chemical Identifiers
| CAS Number | 403735-51-3 |
|---|---|
| SMILES | CC1=C(C(=NN1C(=O)CCN2C(=O)C3=CC=CC=C3C2=O)C)Br |
Product Overview
ChemDiv1_006949 (CAS 403735-51-3), with molecular formula C16H14BrN3O3 and molecular weight 375.02 g/mol. IUPAC: 2-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-oxopropyl]isoindole-1,3-dione.
Chemical Property Profile of ChemDiv1_006949
Property Insights of ChemDiv1_006949
The XLogP value of 2.58894 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_006949. The TPSA of 72.27 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006949. Following Lipinski's Rule of Five, ChemDiv1_006949 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 ChemDiv1_006949?
The CAS number of ChemDiv1_006949 is 403735-51-3.
What is the molecular formula of ChemDiv1_006949?
The molecular formula of ChemDiv1_006949 is C16H14BrN3O3.
What is the molecular weight of ChemDiv1_006949?
The molecular weight of ChemDiv1_006949 is 375.02 g/mol.
Where can I buy ChemDiv1_006949?
You can request a quote for ChemDiv1_006949 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006949?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006949 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.