Ethyl 2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzylcarbamate
TL;DR: Ethyl 2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzylcarbamate (CAS 694475-59-7) is a chemical compound with molecular formula C20H21N3O3 and molecular weight 351.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]carbamate
Also Known As: ethyl 2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzylcarbamate, ethyl [2-methyl-5-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)benzyl]carbamate, ethyl [2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl]carbamate, ethyl N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]carbamate, ETHYL N-{[2-METHYL-5-(3-METHYL-4-OXO-3,4-DIHYDROPHTHALAZIN-1-YL)PHENYL]METHYL}CARBAMATE
| Molecular Formula | C20H21N3O3 |
|---|---|
| Molecular Weight | 351.16 g/mol |
| LogP | 3.15502 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.1583 |
| Heavy Atoms | 26 |
| Complexity | 1024.4755 |
Chemical Identifiers
| CAS Number | 694475-59-7 |
|---|---|
| SMILES | CCOC(=O)NCC1=C(C=CC(=C1)C2=NN(C(=O)C3=CC=CC=C32)C)C |
Product Overview
Ethyl 2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzylcarbamate (CAS 694475-59-7), with molecular formula C20H21N3O3 and molecular weight 351.16 g/mol. IUPAC: ethyl N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]carbamate.
Chemical Property Profile of Ethyl 2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzylcarbamate
Property Insights of Ethyl 2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzylcarbamate
The XLogP value of 3.15502 indicates that Ethyl 2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzylcarbamate. Following Lipinski's Rule of Five, Ethyl 2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzylcarbamate 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 Ethyl 2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzylcarbamate?
The CAS number of Ethyl 2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzylcarbamate is 694475-59-7.
What is the molecular formula of Ethyl 2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzylcarbamate?
The molecular formula of Ethyl 2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzylcarbamate is C20H21N3O3.
What is the molecular weight of Ethyl 2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzylcarbamate?
The molecular weight of Ethyl 2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzylcarbamate is 351.16 g/mol.
Where can I buy Ethyl 2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzylcarbamate?
You can request a quote for Ethyl 2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.