BAS 00488950
TL;DR: BAS 00488950 (CAS 314759-57-4) is a chemical compound with molecular formula C22H17N7O3 and molecular weight 427.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-(4-nitrophenyl)-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one
Also Known As: BAS 00488950, (4E)-5-methyl-2-(4-nitrophenyl)-4-(2-{4-[(E)-phenyldiazenyl]phenyl}hydrazinylidene)-2,4-dihydro-3H-pyrazol-3-one, (4E)-5-methyl-2-(4-nitrophenyl)-4-[(4-phenyldiazenylphenyl)hydrazinylidene]pyrazol-3-one, (4Z)-5-methyl-2-(4-nitrophenyl)-4-[(4-phenyldiazenylphenyl)hydrazinylidene]pyrazol-3-one, 5-methyl-2-(4-nitrophenyl)-4-[(4-phenyldiazenylphenyl)hydrazinylidene]pyrazol-3-one
| Molecular Formula | C22H17N7O3 |
|---|---|
| Molecular Weight | 427.14 g/mol |
| LogP | 6.21302 |
| Topological Polar Surface Area | 130.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.13928 |
| Heavy Atoms | 32 |
| Complexity | 1353.6622 |
Chemical Identifiers
| CAS Number | 314759-57-4 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])N=NC3=CC=C(C=C3)N=NC4=CC=CC=C4 |
Product Overview
BAS 00488950 (CAS 314759-57-4), with molecular formula C22H17N7O3 and molecular weight 427.14 g/mol. IUPAC: 5-methyl-2-(4-nitrophenyl)-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one.
Chemical Property Profile of BAS 00488950
Property Insights of BAS 00488950
The XLogP value of 6.21302 indicates that BAS 00488950 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.37 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00488950. Following Lipinski's Rule of Five, BAS 00488950 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00488950?
The CAS number of BAS 00488950 is 314759-57-4.
What is the molecular formula of BAS 00488950?
The molecular formula of BAS 00488950 is C22H17N7O3.
What is the molecular weight of BAS 00488950?
The molecular weight of BAS 00488950 is 427.14 g/mol.
Where can I buy BAS 00488950?
You can request a quote for BAS 00488950 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00488950?
Yes, KEHONG BIO provides custom synthesis services for BAS 00488950 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.