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Dimethyl5-[(2-phenoxybutanoyl)amino]isophthalate
TL;DR: Dimethyl5-[(2-phenoxybutanoyl)amino]isophthalate (CAS 544441-24-9) is a chemical compound with molecular formula C20H21NO6 and molecular weight 371.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-(2-phenoxybutanoylamino)benzene-1,3-dicarboxylate
Also Known As: dimethyl5-[(2-phenoxybutanoyl)amino]isophthalate, dimethyl 5-(2-phenoxybutanoylamino)benzene-1,3-dicarboxylate, AJ-292/42218517, dimethyl 5-[(2-phenoxybutanoyl)amino]benzene-1,3-dicarboxylate, DIMETHYL 5-[(2-PHENOXYBUTANOYL)AMINO]ISOPHTHALATE
| Molecular Formula | C20H21NO6 |
|---|---|
| Molecular Weight | 371.14 g/mol |
| LogP | 3.0559 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 371.1369 |
| Heavy Atoms | 27 |
| Complexity | 784.22656 |
Chemical Identifiers
| CAS Number | 544441-24-9 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC)OC2=CC=CC=C2 |
Product Overview
Dimethyl5-[(2-phenoxybutanoyl)amino]isophthalate (CAS 544441-24-9), with molecular formula C20H21NO6 and molecular weight 371.14 g/mol. IUPAC: dimethyl 5-(2-phenoxybutanoylamino)benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl5-[(2-phenoxybutanoyl)amino]isophthalate
Property Insights of Dimethyl5-[(2-phenoxybutanoyl)amino]isophthalate
The XLogP value of 3.0559 indicates that Dimethyl5-[(2-phenoxybutanoyl)amino]isophthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl5-[(2-phenoxybutanoyl)amino]isophthalate. Following Lipinski's Rule of Five, Dimethyl5-[(2-phenoxybutanoyl)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 Dimethyl5-[(2-phenoxybutanoyl)amino]isophthalate?
The CAS number of Dimethyl5-[(2-phenoxybutanoyl)amino]isophthalate is 544441-24-9.
What is the molecular formula of Dimethyl5-[(2-phenoxybutanoyl)amino]isophthalate?
The molecular formula of Dimethyl5-[(2-phenoxybutanoyl)amino]isophthalate is C20H21NO6.
What is the molecular weight of Dimethyl5-[(2-phenoxybutanoyl)amino]isophthalate?
The molecular weight of Dimethyl5-[(2-phenoxybutanoyl)amino]isophthalate is 371.14 g/mol.
Where can I buy Dimethyl5-[(2-phenoxybutanoyl)amino]isophthalate?
You can request a quote for Dimethyl5-[(2-phenoxybutanoyl)amino]isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl5-[(2-phenoxybutanoyl)amino]isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl5-[(2-phenoxybutanoyl)amino]isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.