ChemDiv1_010421
TL;DR: ChemDiv1_010421 (CAS 439294-78-7) is a chemical compound with molecular formula C22H25N3O3 and molecular weight 379.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(3,5-dimethylpyrazol-1-yl)-1-oxo-3-phenylpropan-2-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Also Known As: ChemDiv1_010421, BAS 03450543, AJ-292/40930596, BRD-A56852069-001-01-0, 2-[1-(3,5-dimethyl-1H-pyrazol-1-yl)-1-oxo-3-phenylpropan-2-yl]hexahydro-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C22H25N3O3 |
|---|---|
| Molecular Weight | 379.19 g/mol |
| LogP | 2.92664 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.1896 |
| Heavy Atoms | 28 |
| Complexity | 894.3631 |
Chemical Identifiers
| CAS Number | 439294-78-7 |
|---|---|
| SMILES | CC1=CC(=NN1C(=O)C(CC2=CC=CC=C2)N3C(=O)C4CCCCC4C3=O)C |
Product Overview
ChemDiv1_010421 (CAS 439294-78-7), with molecular formula C22H25N3O3 and molecular weight 379.19 g/mol. IUPAC: 2-[1-(3,5-dimethylpyrazol-1-yl)-1-oxo-3-phenylpropan-2-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.
Chemical Property Profile of ChemDiv1_010421
Property Insights of ChemDiv1_010421
The XLogP value of 2.92664 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_010421. The TPSA of 72.27 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010421. Following Lipinski's Rule of Five, ChemDiv1_010421 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_010421?
The CAS number of ChemDiv1_010421 is 439294-78-7.
What is the molecular formula of ChemDiv1_010421?
The molecular formula of ChemDiv1_010421 is C22H25N3O3.
What is the molecular weight of ChemDiv1_010421?
The molecular weight of ChemDiv1_010421 is 379.19 g/mol.
Where can I buy ChemDiv1_010421?
You can request a quote for ChemDiv1_010421 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010421?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010421 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.