BAS 00278817
TL;DR: BAS 00278817 (CAS 300804-65-3) is a chemical compound with molecular formula C22H18N4O4 and molecular weight 402.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dimethyl-4-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylpyrazol-3-one
Also Known As: BAS 00278817, 4-{[(5-{2-nitrophenyl}-2-furyl)methylene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, 1,5-dimethyl-4-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylpyrazol-3-one, 1,5-dimethyl-4-({[5-(2-nitrophenyl)-2-furyl]methylidene}amino)-2-phenyl-2,3-dihydro-1H-pyrazol-3-one, (E)-1,5-dimethyl-4-(((5-(2-nitrophenyl)furan-2-yl)methylene)amino)-2-phenyl-1H-pyrazol-3(2H)-one
| Molecular Formula | C22H18N4O4 |
|---|---|
| Molecular Weight | 402.13 g/mol |
| LogP | 4.40322 |
| Topological Polar Surface Area | 95.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.1328 |
| Heavy Atoms | 30 |
| Complexity | 1312.6636 |
Chemical Identifiers
| CAS Number | 300804-65-3 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-] |
Product Overview
BAS 00278817 (CAS 300804-65-3), with molecular formula C22H18N4O4 and molecular weight 402.13 g/mol. IUPAC: 1,5-dimethyl-4-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylpyrazol-3-one.
Chemical Property Profile of BAS 00278817
Property Insights of BAS 00278817
The XLogP value of 4.40322 indicates that BAS 00278817 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.57 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00278817. Following Lipinski's Rule of Five, BAS 00278817 has 0 hydrogen bond donor(s) and 5 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 00278817?
The CAS number of BAS 00278817 is 300804-65-3.
What is the molecular formula of BAS 00278817?
The molecular formula of BAS 00278817 is C22H18N4O4.
What is the molecular weight of BAS 00278817?
The molecular weight of BAS 00278817 is 402.13 g/mol.
Where can I buy BAS 00278817?
You can request a quote for BAS 00278817 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00278817?
Yes, KEHONG BIO provides custom synthesis services for BAS 00278817 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.