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Dimethyl 2-{[3-(4-tert-butylphenyl)acryloyl]amino}terephthalate
TL;DR: Dimethyl 2-{[3-(4-tert-butylphenyl)acryloyl]amino}terephthalate (CAS 544697-86-1) is a chemical compound with molecular formula C23H25NO5 and molecular weight 395.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-{[3-(4-tert-butylphenyl)acryloyl]amino}terephthalate, (E)-dimethyl 2-(3-(4-(tert-butyl)phenyl)acrylamido)terephthalate, dimethyl 2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]benzene-1,4-dicarboxylate, dimethyl 2-{[(2E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino}benzene-1,4-dicarboxylate, methyl 3-{(2E)-3-[4-(tert-butyl)phenyl]prop-2-enoylamino}-4-(methoxycarbonyl)b enzoate
| Molecular Formula | C23H25NO5 |
|---|---|
| Molecular Weight | 395.17 g/mol |
| LogP | 4.2092 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.17328 |
| Heavy Atoms | 29 |
| Complexity | 936.73083 |
Chemical Identifiers
| CAS Number | 544697-86-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 2-{[3-(4-tert-butylphenyl)acryloyl]amino}terephthalate (CAS 544697-86-1), with molecular formula C23H25NO5 and molecular weight 395.17 g/mol. IUPAC: dimethyl 2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2-{[3-(4-tert-butylphenyl)acryloyl]amino}terephthalate
Property Insights of Dimethyl 2-{[3-(4-tert-butylphenyl)acryloyl]amino}terephthalate
The XLogP value of 4.2092 indicates that Dimethyl 2-{[3-(4-tert-butylphenyl)acryloyl]amino}terephthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-{[3-(4-tert-butylphenyl)acryloyl]amino}terephthalate. Following Lipinski's Rule of Five, Dimethyl 2-{[3-(4-tert-butylphenyl)acryloyl]amino}terephthalate has 1 hydrogen bond donor(s) and 5 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-(4-tert-butylphenyl)acryloyl]amino}terephthalate?
The CAS number of Dimethyl 2-{[3-(4-tert-butylphenyl)acryloyl]amino}terephthalate is 544697-86-1.
What is the molecular formula of Dimethyl 2-{[3-(4-tert-butylphenyl)acryloyl]amino}terephthalate?
The molecular formula of Dimethyl 2-{[3-(4-tert-butylphenyl)acryloyl]amino}terephthalate is C23H25NO5.
What is the molecular weight of Dimethyl 2-{[3-(4-tert-butylphenyl)acryloyl]amino}terephthalate?
The molecular weight of Dimethyl 2-{[3-(4-tert-butylphenyl)acryloyl]amino}terephthalate is 395.17 g/mol.
Where can I buy Dimethyl 2-{[3-(4-tert-butylphenyl)acryloyl]amino}terephthalate?
You can request a quote for Dimethyl 2-{[3-(4-tert-butylphenyl)acryloyl]amino}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-(4-tert-butylphenyl)acryloyl]amino}terephthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-{[3-(4-tert-butylphenyl)acryloyl]amino}terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.