dimethyl 5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)isophthalate
TL;DR: dimethyl 5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)isophthalate (CAS 61837-50-1) is a chemical compound with molecular formula C14H11NO6 and molecular weight 289.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-(2,5-dioxopyrrol-1-yl)benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)isophthalate, dimethyl 5-(2,5-dioxopyrrol-1-yl)benzene-1,3-dicarboxylate, Dimethyl 5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-isophthalate, methyl 3-(2,5-dioxoazolinyl)-5-(methoxycarbonyl)benzoate, dimethyl5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)isophthalate
| Molecular Formula | C14H11NO6 |
|---|---|
| Molecular Weight | 289.06 g/mol |
| LogP | 0.6892 |
| Topological Polar Surface Area | 89.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.05862 |
| Heavy Atoms | 21 |
| Complexity | 623.7919 |
Chemical Identifiers
| CAS Number | 61837-50-1 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)N2C(=O)C=CC2=O)C(=O)OC |
Product Overview
dimethyl 5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)isophthalate (CAS 61837-50-1), with molecular formula C14H11NO6 and molecular weight 289.06 g/mol. IUPAC: dimethyl 5-(2,5-dioxopyrrol-1-yl)benzene-1,3-dicarboxylate.
Chemical Property Profile of dimethyl 5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)isophthalate
Property Insights of dimethyl 5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)isophthalate
The XLogP value of 0.6892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)isophthalate. The TPSA of 89.98 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)isophthalate. Following Lipinski's Rule of Five, dimethyl 5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)isophthalate has 0 hydrogen bond donor(s) and 6 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-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)isophthalate?
The CAS number of dimethyl 5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)isophthalate is 61837-50-1.
What is the molecular formula of dimethyl 5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)isophthalate?
The molecular formula of dimethyl 5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)isophthalate is C14H11NO6.
What is the molecular weight of dimethyl 5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)isophthalate?
The molecular weight of dimethyl 5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)isophthalate is 289.06 g/mol.
Where can I buy dimethyl 5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)isophthalate?
You can request a quote for dimethyl 5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)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-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.