4-(3-nitro-4-(phenylamino)phenyl)phthalazin-1(2H)-one
TL;DR: 4-(3-nitro-4-(phenylamino)phenyl)phthalazin-1(2H)-one (CAS 700349-58-2) is a chemical compound with molecular formula C20H14N4O3 and molecular weight 358.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-anilino-3-nitrophenyl)-2H-phthalazin-1-one
Also Known As: 4-(4-anilino-3-nitrophenyl)-2H-phthalazin-1-one, 4-(3-nitro-4-(phenylamino)phenyl)phthalazin-1(2H)-one, 4-[3-nitro-4-(phenylamino)phenyl]phthalazin-1(2H)-one, 4-[3-NITRO-4-(PHENYLAMINO)PHENYL]-1,2-DIHYDROPHTHALAZIN-1-ONE
| Molecular Formula | C20H14N4O3 |
|---|---|
| Molecular Weight | 358.11 g/mol |
| LogP | 4.2419 |
| Topological Polar Surface Area | 100.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.1066 |
| Heavy Atoms | 27 |
| Complexity | 1202.7383 |
Chemical Identifiers
| CAS Number | 700349-58-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)[N+](=O)[O-] |
Product Overview
4-(3-nitro-4-(phenylamino)phenyl)phthalazin-1(2H)-one (CAS 700349-58-2), with molecular formula C20H14N4O3 and molecular weight 358.11 g/mol. IUPAC: 4-(4-anilino-3-nitrophenyl)-2H-phthalazin-1-one.
Chemical Property Profile of 4-(3-nitro-4-(phenylamino)phenyl)phthalazin-1(2H)-one
Property Insights of 4-(3-nitro-4-(phenylamino)phenyl)phthalazin-1(2H)-one
The XLogP value of 4.2419 indicates that 4-(3-nitro-4-(phenylamino)phenyl)phthalazin-1(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-nitro-4-(phenylamino)phenyl)phthalazin-1(2H)-one. Following Lipinski's Rule of Five, 4-(3-nitro-4-(phenylamino)phenyl)phthalazin-1(2H)-one has 2 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 4-(3-nitro-4-(phenylamino)phenyl)phthalazin-1(2H)-one?
The CAS number of 4-(3-nitro-4-(phenylamino)phenyl)phthalazin-1(2H)-one is 700349-58-2.
What is the molecular formula of 4-(3-nitro-4-(phenylamino)phenyl)phthalazin-1(2H)-one?
The molecular formula of 4-(3-nitro-4-(phenylamino)phenyl)phthalazin-1(2H)-one is C20H14N4O3.
What is the molecular weight of 4-(3-nitro-4-(phenylamino)phenyl)phthalazin-1(2H)-one?
The molecular weight of 4-(3-nitro-4-(phenylamino)phenyl)phthalazin-1(2H)-one is 358.11 g/mol.
Where can I buy 4-(3-nitro-4-(phenylamino)phenyl)phthalazin-1(2H)-one?
You can request a quote for 4-(3-nitro-4-(phenylamino)phenyl)phthalazin-1(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-nitro-4-(phenylamino)phenyl)phthalazin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-nitro-4-(phenylamino)phenyl)phthalazin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.