![2-Methyl-4-[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]phthalazin-1-one structure](/static/products/5779/577983-29-0.webp)
2-Methyl-4-[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]phthalazin-1-one
TL;DR: 2-Methyl-4-[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]phthalazin-1-one (CAS 577983-29-0) is a chemical compound with molecular formula C21H17N5O3 and molecular weight 387.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]phthalazin-1-one
Also Known As: CBKinase1_004203, CBKinase1_016603, BRD-K02935059-001-01-8, 2-methyl-4-[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]phthalazin-1-one, 2-methyl-4-(3-nitro-4-((pyridin-3-ylmethyl)amino)phenyl)phthalazin-1(2H)-one
| Molecular Formula | C21H17N5O3 |
|---|---|
| Molecular Weight | 387.13 g/mol |
| LogP | 3.5158 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.13315 |
| Heavy Atoms | 29 |
| Complexity | 1268.5464 |
Chemical Identifiers
| CAS Number | 577983-29-0 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)NCC4=CN=CC=C4)[N+](=O)[O-] |
Product Overview
2-Methyl-4-[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]phthalazin-1-one (CAS 577983-29-0), with molecular formula C21H17N5O3 and molecular weight 387.13 g/mol. IUPAC: 2-methyl-4-[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]phthalazin-1-one.
Chemical Property Profile of 2-Methyl-4-[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]phthalazin-1-one
Property Insights of 2-Methyl-4-[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]phthalazin-1-one
The XLogP value of 3.5158 indicates that 2-Methyl-4-[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]phthalazin-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-4-[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]phthalazin-1-one. Following Lipinski's Rule of Five, 2-Methyl-4-[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]phthalazin-1-one has 1 hydrogen bond donor(s) and 6 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 2-Methyl-4-[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]phthalazin-1-one?
The CAS number of 2-Methyl-4-[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]phthalazin-1-one is 577983-29-0.
What is the molecular formula of 2-Methyl-4-[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]phthalazin-1-one?
The molecular formula of 2-Methyl-4-[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]phthalazin-1-one is C21H17N5O3.
What is the molecular weight of 2-Methyl-4-[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]phthalazin-1-one?
The molecular weight of 2-Methyl-4-[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]phthalazin-1-one is 387.13 g/mol.
Where can I buy 2-Methyl-4-[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]phthalazin-1-one?
You can request a quote for 2-Methyl-4-[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]phthalazin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4-[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]phthalazin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4-[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]phthalazin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.