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Ethyl 4-[(4-azido-3-oxobutyl)-formylamino]benzoate
TL;DR: Ethyl 4-[(4-azido-3-oxobutyl)-formylamino]benzoate (CAS 4788-63-0) is a chemical compound with molecular formula C14H16N4O4 and molecular weight 304.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-azido-3-oxobutyl)-formylamino]benzoate
Also Known As: NCIOpen2_009911, ethyl 4-[(4-azido-3-oxobutyl)-formylamino]benzoate, Ethyl 4-[N-(4-azido-3-oxobutyl)formamido]benzoate
| Molecular Formula | C14H16N4O4 |
|---|---|
| Molecular Weight | 304.12 g/mol |
| LogP | 2.0956 |
| Topological Polar Surface Area | 112.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 304.11716 |
| Heavy Atoms | 22 |
| Complexity | 579.01056 |
Chemical Identifiers
| CAS Number | 4788-63-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N(CCC(=O)CN=[N+]=[N-])C=O |
Product Overview
Ethyl 4-[(4-azido-3-oxobutyl)-formylamino]benzoate (CAS 4788-63-0), with molecular formula C14H16N4O4 and molecular weight 304.12 g/mol. IUPAC: ethyl 4-[(4-azido-3-oxobutyl)-formylamino]benzoate.
Chemical Property Profile of Ethyl 4-[(4-azido-3-oxobutyl)-formylamino]benzoate
Property Insights of Ethyl 4-[(4-azido-3-oxobutyl)-formylamino]benzoate
The XLogP value of 2.0956 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(4-azido-3-oxobutyl)-formylamino]benzoate. The TPSA of 112.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(4-azido-3-oxobutyl)-formylamino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[(4-azido-3-oxobutyl)-formylamino]benzoate has 0 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-[(4-azido-3-oxobutyl)-formylamino]benzoate?
The CAS number of Ethyl 4-[(4-azido-3-oxobutyl)-formylamino]benzoate is 4788-63-0.
What is the molecular formula of Ethyl 4-[(4-azido-3-oxobutyl)-formylamino]benzoate?
The molecular formula of Ethyl 4-[(4-azido-3-oxobutyl)-formylamino]benzoate is C14H16N4O4.
What is the molecular weight of Ethyl 4-[(4-azido-3-oxobutyl)-formylamino]benzoate?
The molecular weight of Ethyl 4-[(4-azido-3-oxobutyl)-formylamino]benzoate is 304.12 g/mol.
Where can I buy Ethyl 4-[(4-azido-3-oxobutyl)-formylamino]benzoate?
You can request a quote for Ethyl 4-[(4-azido-3-oxobutyl)-formylamino]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-[(4-azido-3-oxobutyl)-formylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(4-azido-3-oxobutyl)-formylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.