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Ethyl 4-{[2-(ethoxycarbonyl)-2-ethylbutanoyl]amino}benzoate
TL;DR: Ethyl 4-{[2-(ethoxycarbonyl)-2-ethylbutanoyl]amino}benzoate (CAS 302800-79-9) is a chemical compound with molecular formula C18H25NO5 and molecular weight 335.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(2-ethoxycarbonyl-2-ethylbutanoyl)amino]benzoate
Also Known As: AH-034/08462022, ethyl 4-(2-(ethoxycarbonyl)-2-ethylbutanamido)benzoate, ethyl 4-{[2-(ethoxycarbonyl)-2-ethylbutanoyl]amino}benzoate, ethyl 4-[(2-ethoxycarbonyl-2-ethylbutanoyl)amino]benzoate
| Molecular Formula | C18H25NO5 |
|---|---|
| Molecular Weight | 335.17 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 335.17328 |
| Heavy Atoms | 24 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 302800-79-9 |
|---|---|
| SMILES | CCC(CC)(C(=O)NC1=CC=C(C=C1)C(=O)OCC)C(=O)OCC |
| InChIKey | PVGZESCZNCLQMN-UHFFFAOYSA-N |
Product Overview
Ethyl 4-{[2-(ethoxycarbonyl)-2-ethylbutanoyl]amino}benzoate (CAS 302800-79-9), with molecular formula C18H25NO5 and molecular weight 335.17 g/mol. IUPAC: ethyl 4-[(2-ethoxycarbonyl-2-ethylbutanoyl)amino]benzoate.
Chemical Property Profile of Ethyl 4-{[2-(ethoxycarbonyl)-2-ethylbutanoyl]amino}benzoate
Property Insights of Ethyl 4-{[2-(ethoxycarbonyl)-2-ethylbutanoyl]amino}benzoate
The XLogP value of 3.9 indicates that Ethyl 4-{[2-(ethoxycarbonyl)-2-ethylbutanoyl]amino}benzoate 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 Ethyl 4-{[2-(ethoxycarbonyl)-2-ethylbutanoyl]amino}benzoate. Following Lipinski's Rule of Five, Ethyl 4-{[2-(ethoxycarbonyl)-2-ethylbutanoyl]amino}benzoate 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 Ethyl 4-{[2-(ethoxycarbonyl)-2-ethylbutanoyl]amino}benzoate?
The CAS number of Ethyl 4-{[2-(ethoxycarbonyl)-2-ethylbutanoyl]amino}benzoate is 302800-79-9.
What is the molecular formula of Ethyl 4-{[2-(ethoxycarbonyl)-2-ethylbutanoyl]amino}benzoate?
The molecular formula of Ethyl 4-{[2-(ethoxycarbonyl)-2-ethylbutanoyl]amino}benzoate is C18H25NO5.
What is the molecular weight of Ethyl 4-{[2-(ethoxycarbonyl)-2-ethylbutanoyl]amino}benzoate?
The molecular weight of Ethyl 4-{[2-(ethoxycarbonyl)-2-ethylbutanoyl]amino}benzoate is 335.17 g/mol.
Where can I buy Ethyl 4-{[2-(ethoxycarbonyl)-2-ethylbutanoyl]amino}benzoate?
You can request a quote for Ethyl 4-{[2-(ethoxycarbonyl)-2-ethylbutanoyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-{[2-(ethoxycarbonyl)-2-ethylbutanoyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[2-(ethoxycarbonyl)-2-ethylbutanoyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.