![N-[2-Methyl-5-(3-methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-benzyl]-butyramide structure](/static/products/840/840464-46-2.png)
N-[2-Methyl-5-(3-methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-benzyl]-butyramide
TL;DR: N-[2-Methyl-5-(3-methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-benzyl]-butyramide (CAS 840464-46-2) is a chemical compound with molecular formula C21H23N3O2 and molecular weight 349.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]butanamide
Also Known As: BAS 06574917, N-(2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)butyramide, N-[2-Methyl-5-(3-methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-benzyl]-butyramide, N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]butanamide, N-[2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl]butanamide
| Molecular Formula | C21H23N3O2 |
|---|---|
| Molecular Weight | 349.18 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.17902 |
| Heavy Atoms | 26 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 840464-46-2 |
|---|---|
| SMILES | CCCC(=O)NCC1=C(C=CC(=C1)C2=NN(C(=O)C3=CC=CC=C32)C)C |
| InChIKey | GOQMEBUJBUGIEZ-UHFFFAOYSA-N |
Product Overview
N-[2-Methyl-5-(3-methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-benzyl]-butyramide (CAS 840464-46-2), with molecular formula C21H23N3O2 and molecular weight 349.18 g/mol. IUPAC: N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]butanamide.
Chemical Property Profile of N-[2-Methyl-5-(3-methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-benzyl]-butyramide
Property Insights of N-[2-Methyl-5-(3-methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-benzyl]-butyramide
The XLogP value of 3.2 indicates that N-[2-Methyl-5-(3-methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-benzyl]-butyramide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-Methyl-5-(3-methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-benzyl]-butyramide. Following Lipinski's Rule of Five, N-[2-Methyl-5-(3-methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-benzyl]-butyramide has 1 hydrogen bond donor(s) and 3 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 N-[2-Methyl-5-(3-methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-benzyl]-butyramide?
The CAS number of N-[2-Methyl-5-(3-methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-benzyl]-butyramide is 840464-46-2.
What is the molecular formula of N-[2-Methyl-5-(3-methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-benzyl]-butyramide?
The molecular formula of N-[2-Methyl-5-(3-methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-benzyl]-butyramide is C21H23N3O2.
What is the molecular weight of N-[2-Methyl-5-(3-methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-benzyl]-butyramide?
The molecular weight of N-[2-Methyl-5-(3-methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-benzyl]-butyramide is 349.18 g/mol.
Where can I buy N-[2-Methyl-5-(3-methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-benzyl]-butyramide?
You can request a quote for N-[2-Methyl-5-(3-methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-benzyl]-butyramide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-Methyl-5-(3-methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-benzyl]-butyramide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-Methyl-5-(3-methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-benzyl]-butyramide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.