![dimethyl 5-{3-[2-(4-methylbenzoyl)hydrazino]-2,5-dioxo-1-pyrrolidinyl}isophthalate structure](/static/products/956/956394-45-9.png)
dimethyl 5-{3-[2-(4-methylbenzoyl)hydrazino]-2,5-dioxo-1-pyrrolidinyl}isophthalate
TL;DR: dimethyl 5-{3-[2-(4-methylbenzoyl)hydrazino]-2,5-dioxo-1-pyrrolidinyl}isophthalate (CAS 956394-45-9) is a chemical compound with molecular formula C22H21N3O7 and molecular weight 439.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[3-[2-(4-methylbenzoyl)hydrazinyl]-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-{3-[2-(4-methylbenzoyl)hydrazino]-2,5-dioxo-1-pyrrolidinyl}isophthalate, dimethyl 5-[3-[2-(4-methylbenzoyl)hydrazinyl]-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylate, dimethyl 5-(3-(2-(4-methylbenzoyl)hydrazinyl)-2,5-dioxopyrrolidin-1-yl)isophthalate, 1,3-DIMETHYL 5-{3-[(4-METHYLPHENYL)HYDRAZIDO]-2,5-DIOXOPYRROLIDIN-1-YL}BENZENE-1,3-DICARBOXYLATE, 5-[3-[[(4-methylphenyl)-oxomethyl]hydrazo]-2,5-dioxo-1-pyrrolidinyl]benzene-1,3-dicarboxylic acid dimethyl ester
| Molecular Formula | C22H21N3O7 |
|---|---|
| Molecular Weight | 439.14 g/mol |
| LogP | 1.13472 |
| Topological Polar Surface Area | 131.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.13794 |
| Heavy Atoms | 32 |
| Complexity | 1060.9534 |
Chemical Identifiers
| CAS Number | 956394-45-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NNC2CC(=O)N(C2=O)C3=CC(=CC(=C3)C(=O)OC)C(=O)OC |
Product Overview
dimethyl 5-{3-[2-(4-methylbenzoyl)hydrazino]-2,5-dioxo-1-pyrrolidinyl}isophthalate (CAS 956394-45-9), with molecular formula C22H21N3O7 and molecular weight 439.14 g/mol. IUPAC: dimethyl 5-[3-[2-(4-methylbenzoyl)hydrazinyl]-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylate.
Chemical Property Profile of dimethyl 5-{3-[2-(4-methylbenzoyl)hydrazino]-2,5-dioxo-1-pyrrolidinyl}isophthalate
Property Insights of dimethyl 5-{3-[2-(4-methylbenzoyl)hydrazino]-2,5-dioxo-1-pyrrolidinyl}isophthalate
The XLogP value of 1.13472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 5-{3-[2-(4-methylbenzoyl)hydrazino]-2,5-dioxo-1-pyrrolidinyl}isophthalate. The TPSA of 131.11 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 5-{3-[2-(4-methylbenzoyl)hydrazino]-2,5-dioxo-1-pyrrolidinyl}isophthalate. Following Lipinski's Rule of Five, dimethyl 5-{3-[2-(4-methylbenzoyl)hydrazino]-2,5-dioxo-1-pyrrolidinyl}isophthalate has 2 hydrogen bond donor(s) and 8 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 dimethyl 5-{3-[2-(4-methylbenzoyl)hydrazino]-2,5-dioxo-1-pyrrolidinyl}isophthalate?
The CAS number of dimethyl 5-{3-[2-(4-methylbenzoyl)hydrazino]-2,5-dioxo-1-pyrrolidinyl}isophthalate is 956394-45-9.
What is the molecular formula of dimethyl 5-{3-[2-(4-methylbenzoyl)hydrazino]-2,5-dioxo-1-pyrrolidinyl}isophthalate?
The molecular formula of dimethyl 5-{3-[2-(4-methylbenzoyl)hydrazino]-2,5-dioxo-1-pyrrolidinyl}isophthalate is C22H21N3O7.
What is the molecular weight of dimethyl 5-{3-[2-(4-methylbenzoyl)hydrazino]-2,5-dioxo-1-pyrrolidinyl}isophthalate?
The molecular weight of dimethyl 5-{3-[2-(4-methylbenzoyl)hydrazino]-2,5-dioxo-1-pyrrolidinyl}isophthalate is 439.14 g/mol.
Where can I buy dimethyl 5-{3-[2-(4-methylbenzoyl)hydrazino]-2,5-dioxo-1-pyrrolidinyl}isophthalate?
You can request a quote for dimethyl 5-{3-[2-(4-methylbenzoyl)hydrazino]-2,5-dioxo-1-pyrrolidinyl}isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 5-{3-[2-(4-methylbenzoyl)hydrazino]-2,5-dioxo-1-pyrrolidinyl}isophthalate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 5-{3-[2-(4-methylbenzoyl)hydrazino]-2,5-dioxo-1-pyrrolidinyl}isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.