Dimethyl 2-(3-methylbenzofuran-2-carboxamido)terephthalate
TL;DR: Dimethyl 2-(3-methylbenzofuran-2-carboxamido)terephthalate (CAS 874464-58-1) is a chemical compound with molecular formula C20H17NO6 and molecular weight 367.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(3-methyl-1-benzofuran-2-carbonyl)amino]benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-(3-methylbenzofuran-2-carboxamido)terephthalate, F1787-0934, 1,4-DIMETHYL 2-(3-METHYL-1-BENZOFURAN-2-AMIDO)BENZENE-1,4-DICARBOXYLATE, dimethyl 2-[(3-methyl-1-benzofuran-2-carbonyl)amino]benzene-1,4-dicarboxylate, dimethyl 2-{[(3-methyl-1-benzofuran-2-yl)carbonyl]amino}benzene-1,4-dicarboxylate
| Molecular Formula | C20H17NO6 |
|---|---|
| Molecular Weight | 367.11 g/mol |
| LogP | 3.56672 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.1056 |
| Heavy Atoms | 27 |
| Complexity | 1049.8066 |
Chemical Identifiers
| CAS Number | 874464-58-1 |
|---|---|
| SMILES | CC1=C(OC2=CC=CC=C12)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 2-(3-methylbenzofuran-2-carboxamido)terephthalate (CAS 874464-58-1), with molecular formula C20H17NO6 and molecular weight 367.11 g/mol. IUPAC: dimethyl 2-[(3-methyl-1-benzofuran-2-carbonyl)amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2-(3-methylbenzofuran-2-carboxamido)terephthalate
Property Insights of Dimethyl 2-(3-methylbenzofuran-2-carboxamido)terephthalate
The XLogP value of 3.56672 indicates that Dimethyl 2-(3-methylbenzofuran-2-carboxamido)terephthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-(3-methylbenzofuran-2-carboxamido)terephthalate. Following Lipinski's Rule of Five, Dimethyl 2-(3-methylbenzofuran-2-carboxamido)terephthalate 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 2-(3-methylbenzofuran-2-carboxamido)terephthalate?
The CAS number of Dimethyl 2-(3-methylbenzofuran-2-carboxamido)terephthalate is 874464-58-1.
What is the molecular formula of Dimethyl 2-(3-methylbenzofuran-2-carboxamido)terephthalate?
The molecular formula of Dimethyl 2-(3-methylbenzofuran-2-carboxamido)terephthalate is C20H17NO6.
What is the molecular weight of Dimethyl 2-(3-methylbenzofuran-2-carboxamido)terephthalate?
The molecular weight of Dimethyl 2-(3-methylbenzofuran-2-carboxamido)terephthalate is 367.11 g/mol.
Where can I buy Dimethyl 2-(3-methylbenzofuran-2-carboxamido)terephthalate?
You can request a quote for Dimethyl 2-(3-methylbenzofuran-2-carboxamido)terephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-(3-methylbenzofuran-2-carboxamido)terephthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(3-methylbenzofuran-2-carboxamido)terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.