Dimethyl 5-((3-(2-furyl)-2-propenoyl)amino)isophthalate
TL;DR: Dimethyl 5-((3-(2-furyl)-2-propenoyl)amino)isophthalate (CAS 853349-53-8) is a chemical compound with molecular formula C17H15NO6 and molecular weight 329.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzene-1,3-dicarboxylate
Also Known As: Dimethyl 5-(3-(furan-2-yl)acrylamido)isophthalate, DIMETHYL 5-((3-(2-FURYL)-2-PROPENOYL)AMINO)ISOPHTHALATE, methyl 5-((2E)-3-(2-furyl)prop-2-enoylamino)-3-(methoxycarbonyl)benzoate, dimethyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzene-1,3-dicarboxylate, dimethyl 5-{[(2E)-3-(furan-2-yl)prop-2-enoyl]amino}benzene-1,3-dicarboxylate
| Molecular Formula | C17H15NO6 |
|---|---|
| Molecular Weight | 329.09 g/mol |
| LogP | 2.5047 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.08994 |
| Heavy Atoms | 24 |
| Complexity | 742.13336 |
Chemical Identifiers
| CAS Number | 853349-53-8 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=O)/C=C/C2=CC=CO2)C(=O)OC |
Product Overview
Dimethyl 5-((3-(2-furyl)-2-propenoyl)amino)isophthalate (CAS 853349-53-8), with molecular formula C17H15NO6 and molecular weight 329.09 g/mol. IUPAC: dimethyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-((3-(2-furyl)-2-propenoyl)amino)isophthalate
Property Insights of Dimethyl 5-((3-(2-furyl)-2-propenoyl)amino)isophthalate
The XLogP value of 2.5047 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-((3-(2-furyl)-2-propenoyl)amino)isophthalate. The TPSA of 94.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-((3-(2-furyl)-2-propenoyl)amino)isophthalate. Following Lipinski's Rule of Five, Dimethyl 5-((3-(2-furyl)-2-propenoyl)amino)isophthalate has 1 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-((3-(2-furyl)-2-propenoyl)amino)isophthalate?
The CAS number of Dimethyl 5-((3-(2-furyl)-2-propenoyl)amino)isophthalate is 853349-53-8.
What is the molecular formula of Dimethyl 5-((3-(2-furyl)-2-propenoyl)amino)isophthalate?
The molecular formula of Dimethyl 5-((3-(2-furyl)-2-propenoyl)amino)isophthalate is C17H15NO6.
What is the molecular weight of Dimethyl 5-((3-(2-furyl)-2-propenoyl)amino)isophthalate?
The molecular weight of Dimethyl 5-((3-(2-furyl)-2-propenoyl)amino)isophthalate is 329.09 g/mol.
Where can I buy Dimethyl 5-((3-(2-furyl)-2-propenoyl)amino)isophthalate?
You can request a quote for Dimethyl 5-((3-(2-furyl)-2-propenoyl)amino)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-furyl)-2-propenoyl)amino)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-((3-(2-furyl)-2-propenoyl)amino)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.