dimethyl 5-(2-(1,3-dioxoisoindolin-2-yl)acetamido)isophthalate
TL;DR: dimethyl 5-(2-(1,3-dioxoisoindolin-2-yl)acetamido)isophthalate (CAS 349087-55-4) is a chemical compound with molecular formula C20H16N2O7 and molecular weight 396.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-(2-(1,3-dioxoisoindolin-2-yl)acetamido)isophthalate, dimethyl 5-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzene-1,3-dicarboxylate, methyl 5-[2-(1,3-dioxobenzo[c]azolidin-2-yl)acetylamino]-3-(methoxycarbonyl)be nzoate, 1,3-DIMETHYL 5-[2-(1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL)ACETAMIDO]BENZENE-1,3-DICARBOXYLATE, dimethyl 5-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}benzene-1,3-dicarboxylate
| Molecular Formula | C20H16N2O7 |
|---|---|
| Molecular Weight | 396.10 g/mol |
| LogP | 1.4945 |
| Topological Polar Surface Area | 119.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.09576 |
| Heavy Atoms | 29 |
| Complexity | 975.6253 |
Chemical Identifiers
| CAS Number | 349087-55-4 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)OC |
Product Overview
dimethyl 5-(2-(1,3-dioxoisoindolin-2-yl)acetamido)isophthalate (CAS 349087-55-4), with molecular formula C20H16N2O7 and molecular weight 396.10 g/mol. IUPAC: dimethyl 5-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of dimethyl 5-(2-(1,3-dioxoisoindolin-2-yl)acetamido)isophthalate
Property Insights of dimethyl 5-(2-(1,3-dioxoisoindolin-2-yl)acetamido)isophthalate
The XLogP value of 1.4945 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 5-(2-(1,3-dioxoisoindolin-2-yl)acetamido)isophthalate. The TPSA of 119.08 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 5-(2-(1,3-dioxoisoindolin-2-yl)acetamido)isophthalate. Following Lipinski's Rule of Five, dimethyl 5-(2-(1,3-dioxoisoindolin-2-yl)acetamido)isophthalate has 1 hydrogen bond donor(s) and 7 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-(2-(1,3-dioxoisoindolin-2-yl)acetamido)isophthalate?
The CAS number of dimethyl 5-(2-(1,3-dioxoisoindolin-2-yl)acetamido)isophthalate is 349087-55-4.
What is the molecular formula of dimethyl 5-(2-(1,3-dioxoisoindolin-2-yl)acetamido)isophthalate?
The molecular formula of dimethyl 5-(2-(1,3-dioxoisoindolin-2-yl)acetamido)isophthalate is C20H16N2O7.
What is the molecular weight of dimethyl 5-(2-(1,3-dioxoisoindolin-2-yl)acetamido)isophthalate?
The molecular weight of dimethyl 5-(2-(1,3-dioxoisoindolin-2-yl)acetamido)isophthalate is 396.10 g/mol.
Where can I buy dimethyl 5-(2-(1,3-dioxoisoindolin-2-yl)acetamido)isophthalate?
You can request a quote for dimethyl 5-(2-(1,3-dioxoisoindolin-2-yl)acetamido)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-(2-(1,3-dioxoisoindolin-2-yl)acetamido)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 5-(2-(1,3-dioxoisoindolin-2-yl)acetamido)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.