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Dimethyl 2-[(2-ethylbutanoyl)amino]terephthalate
TL;DR: Dimethyl 2-[(2-ethylbutanoyl)amino]terephthalate (CAS 544667-47-2) is a chemical compound with molecular formula C16H21NO5 and molecular weight 307.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(2-ethylbutanoylamino)benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-[(2-ethylbutanoyl)amino]terephthalate, dimethyl 2-(2-ethylbutanamido)terephthalate, dimethyl 2-(2-ethylbutanoylamino)benzene-1,4-dicarboxylate, methyl 3-(2-ethylbutanoylamino)-4-(methoxycarbonyl)benzoate, dimethyl 2-[(2-ethylbutanoyl)amino]benzene-1,4-dicarboxylate
| Molecular Formula | C16H21NO5 |
|---|---|
| Molecular Weight | 307.14 g/mol |
| LogP | 2.6345 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 307.14197 |
| Heavy Atoms | 22 |
| Complexity | 563.65466 |
Chemical Identifiers
| CAS Number | 544667-47-2 |
|---|---|
| SMILES | CCC(CC)C(=O)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 2-[(2-ethylbutanoyl)amino]terephthalate (CAS 544667-47-2), with molecular formula C16H21NO5 and molecular weight 307.14 g/mol. IUPAC: dimethyl 2-(2-ethylbutanoylamino)benzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2-[(2-ethylbutanoyl)amino]terephthalate
Property Insights of Dimethyl 2-[(2-ethylbutanoyl)amino]terephthalate
The XLogP value of 2.6345 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-[(2-ethylbutanoyl)amino]terephthalate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-[(2-ethylbutanoyl)amino]terephthalate. Following Lipinski's Rule of Five, Dimethyl 2-[(2-ethylbutanoyl)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-[(2-ethylbutanoyl)amino]terephthalate?
The CAS number of Dimethyl 2-[(2-ethylbutanoyl)amino]terephthalate is 544667-47-2.
What is the molecular formula of Dimethyl 2-[(2-ethylbutanoyl)amino]terephthalate?
The molecular formula of Dimethyl 2-[(2-ethylbutanoyl)amino]terephthalate is C16H21NO5.
What is the molecular weight of Dimethyl 2-[(2-ethylbutanoyl)amino]terephthalate?
The molecular weight of Dimethyl 2-[(2-ethylbutanoyl)amino]terephthalate is 307.14 g/mol.
Where can I buy Dimethyl 2-[(2-ethylbutanoyl)amino]terephthalate?
You can request a quote for Dimethyl 2-[(2-ethylbutanoyl)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-[(2-ethylbutanoyl)amino]terephthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-[(2-ethylbutanoyl)amino]terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.