BAS 00822698
TL;DR: BAS 00822698 (CAS 82805-65-0) is a chemical compound with molecular formula C20H15BrN4O and molecular weight 406.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-bromophenyl)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methyl]propanedinitrile
Also Known As: BAS 00822698, [(4-bromophenyl)(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methyl]propanedinitrile, 2-[(4-bromophenyl)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methyl]propanedinitrile, 2-((4-bromophenyl)(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methyl)malononitrile, 2-[(4-BROMOPHENYL)(3-METHYL-5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-4-YL)METHYL]PROPANEDINITRILE
| Molecular Formula | C20H15BrN4O |
|---|---|
| Molecular Weight | 406.04 g/mol |
| LogP | 4.23496 |
| Topological Polar Surface Area | 80.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.0429 |
| Heavy Atoms | 26 |
| Complexity | 911.0238 |
Chemical Identifiers
| CAS Number | 82805-65-0 |
|---|---|
| SMILES | CC1=NN(C(=O)C1C(C2=CC=C(C=C2)Br)C(C#N)C#N)C3=CC=CC=C3 |
Product Overview
BAS 00822698 (CAS 82805-65-0), with molecular formula C20H15BrN4O and molecular weight 406.04 g/mol. IUPAC: 2-[(4-bromophenyl)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methyl]propanedinitrile.
Chemical Property Profile of BAS 00822698
Property Insights of BAS 00822698
The XLogP value of 4.23496 indicates that BAS 00822698 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.25 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00822698. Following Lipinski's Rule of Five, BAS 00822698 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 00822698?
The CAS number of BAS 00822698 is 82805-65-0.
What is the molecular formula of BAS 00822698?
The molecular formula of BAS 00822698 is C20H15BrN4O.
What is the molecular weight of BAS 00822698?
The molecular weight of BAS 00822698 is 406.04 g/mol.
Where can I buy BAS 00822698?
You can request a quote for BAS 00822698 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00822698?
Yes, KEHONG BIO provides custom synthesis services for BAS 00822698 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.