4-(3-methyl-4-oxophthalazin-1-yl)-N-(oxolan-2-ylmethyl)benzamide
TL;DR: 4-(3-methyl-4-oxophthalazin-1-yl)-N-(oxolan-2-ylmethyl)benzamide (CAS 701229-29-0) is a chemical compound with molecular formula C21H21N3O3 and molecular weight 363.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methyl-4-oxophthalazin-1-yl)-N-(oxolan-2-ylmethyl)benzamide
Also Known As: ChemDiv3_006469, IDI1_024379, BRD-A65342982-001-01-5, 4-(3-methyl-4-oxophthalazin-1-yl)-N-(oxolan-2-ylmethyl)benzamide, 4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(tetrahydrofuran-2-ylmethyl)benzamide
| Molecular Formula | C21H21N3O3 |
|---|---|
| Molecular Weight | 363.16 g/mol |
| LogP | 2.5093 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.1583 |
| Heavy Atoms | 27 |
| Complexity | 1034.7163 |
Chemical Identifiers
| CAS Number | 701229-29-0 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C(=O)NCC4CCCO4 |
Product Overview
4-(3-methyl-4-oxophthalazin-1-yl)-N-(oxolan-2-ylmethyl)benzamide (CAS 701229-29-0), with molecular formula C21H21N3O3 and molecular weight 363.16 g/mol. IUPAC: 4-(3-methyl-4-oxophthalazin-1-yl)-N-(oxolan-2-ylmethyl)benzamide.
Chemical Property Profile of 4-(3-methyl-4-oxophthalazin-1-yl)-N-(oxolan-2-ylmethyl)benzamide
Property Insights of 4-(3-methyl-4-oxophthalazin-1-yl)-N-(oxolan-2-ylmethyl)benzamide
The XLogP value of 2.5093 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-methyl-4-oxophthalazin-1-yl)-N-(oxolan-2-ylmethyl)benzamide. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-methyl-4-oxophthalazin-1-yl)-N-(oxolan-2-ylmethyl)benzamide. Following Lipinski's Rule of Five, 4-(3-methyl-4-oxophthalazin-1-yl)-N-(oxolan-2-ylmethyl)benzamide has 1 hydrogen bond donor(s) and 4 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-methyl-4-oxophthalazin-1-yl)-N-(oxolan-2-ylmethyl)benzamide?
The CAS number of 4-(3-methyl-4-oxophthalazin-1-yl)-N-(oxolan-2-ylmethyl)benzamide is 701229-29-0.
What is the molecular formula of 4-(3-methyl-4-oxophthalazin-1-yl)-N-(oxolan-2-ylmethyl)benzamide?
The molecular formula of 4-(3-methyl-4-oxophthalazin-1-yl)-N-(oxolan-2-ylmethyl)benzamide is C21H21N3O3.
What is the molecular weight of 4-(3-methyl-4-oxophthalazin-1-yl)-N-(oxolan-2-ylmethyl)benzamide?
The molecular weight of 4-(3-methyl-4-oxophthalazin-1-yl)-N-(oxolan-2-ylmethyl)benzamide is 363.16 g/mol.
Where can I buy 4-(3-methyl-4-oxophthalazin-1-yl)-N-(oxolan-2-ylmethyl)benzamide?
You can request a quote for 4-(3-methyl-4-oxophthalazin-1-yl)-N-(oxolan-2-ylmethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-methyl-4-oxophthalazin-1-yl)-N-(oxolan-2-ylmethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-methyl-4-oxophthalazin-1-yl)-N-(oxolan-2-ylmethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.