![ethyl 4-{[N-(3,4-dioxo-2-pyrrolidin-1-ylcyclobut-1-en-1-yl)-beta-alanyl]amino}benzoate structure](/static/products/899/899703-65-2.png)
ethyl 4-{[N-(3,4-dioxo-2-pyrrolidin-1-ylcyclobut-1-en-1-yl)-beta-alanyl]amino}benzoate
TL;DR: ethyl 4-{[N-(3,4-dioxo-2-pyrrolidin-1-ylcyclobut-1-en-1-yl)-beta-alanyl]amino}benzoate (CAS 899703-65-2) is a chemical compound with molecular formula C20H23N3O5 and molecular weight 385.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]propanoylamino]benzoate
Also Known As: ethyl 4-{[N-(3,4-dioxo-2-pyrrolidin-1-ylcyclobut-1-en-1-yl)-beta-alanyl]amino}benzoate, Ethyl 4-({N-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-beta-alanyl}amino)benzoate, ethyl 4-[3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]propanoylamino]benzoate, ETHYL 4-(3-{[3,4-DIOXO-2-(PYRROLIDIN-1-YL)CYCLOBUT-1-EN-1-YL]AMINO}PROPANAMIDO)BENZOATE, Ethyl 4-[[3-[[3,4-dioxo-2-(1-pyrrolidinyl)-1-cyclobuten-1-yl]amino]-1-oxopropyl]amino]benzoate
| Molecular Formula | C20H23N3O5 |
|---|---|
| Molecular Weight | 385.16 g/mol |
| LogP | 1.5002 |
| Topological Polar Surface Area | 104.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 385.16376 |
| Heavy Atoms | 28 |
| Complexity | 922.43787 |
Chemical Identifiers
| CAS Number | 899703-65-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CCNC2=C(C(=O)C2=O)N3CCCC3 |
Product Overview
ethyl 4-{[N-(3,4-dioxo-2-pyrrolidin-1-ylcyclobut-1-en-1-yl)-beta-alanyl]amino}benzoate (CAS 899703-65-2), with molecular formula C20H23N3O5 and molecular weight 385.16 g/mol. IUPAC: ethyl 4-[3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]propanoylamino]benzoate.
Chemical Property Profile of ethyl 4-{[N-(3,4-dioxo-2-pyrrolidin-1-ylcyclobut-1-en-1-yl)-beta-alanyl]amino}benzoate
Property Insights of ethyl 4-{[N-(3,4-dioxo-2-pyrrolidin-1-ylcyclobut-1-en-1-yl)-beta-alanyl]amino}benzoate
The XLogP value of 1.5002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-{[N-(3,4-dioxo-2-pyrrolidin-1-ylcyclobut-1-en-1-yl)-beta-alanyl]amino}benzoate. The TPSA of 104.81 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-{[N-(3,4-dioxo-2-pyrrolidin-1-ylcyclobut-1-en-1-yl)-beta-alanyl]amino}benzoate. Following Lipinski's Rule of Five, ethyl 4-{[N-(3,4-dioxo-2-pyrrolidin-1-ylcyclobut-1-en-1-yl)-beta-alanyl]amino}benzoate has 2 hydrogen bond donor(s) and 7 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-{[N-(3,4-dioxo-2-pyrrolidin-1-ylcyclobut-1-en-1-yl)-beta-alanyl]amino}benzoate?
The CAS number of ethyl 4-{[N-(3,4-dioxo-2-pyrrolidin-1-ylcyclobut-1-en-1-yl)-beta-alanyl]amino}benzoate is 899703-65-2.
What is the molecular formula of ethyl 4-{[N-(3,4-dioxo-2-pyrrolidin-1-ylcyclobut-1-en-1-yl)-beta-alanyl]amino}benzoate?
The molecular formula of ethyl 4-{[N-(3,4-dioxo-2-pyrrolidin-1-ylcyclobut-1-en-1-yl)-beta-alanyl]amino}benzoate is C20H23N3O5.
What is the molecular weight of ethyl 4-{[N-(3,4-dioxo-2-pyrrolidin-1-ylcyclobut-1-en-1-yl)-beta-alanyl]amino}benzoate?
The molecular weight of ethyl 4-{[N-(3,4-dioxo-2-pyrrolidin-1-ylcyclobut-1-en-1-yl)-beta-alanyl]amino}benzoate is 385.16 g/mol.
Where can I buy ethyl 4-{[N-(3,4-dioxo-2-pyrrolidin-1-ylcyclobut-1-en-1-yl)-beta-alanyl]amino}benzoate?
You can request a quote for ethyl 4-{[N-(3,4-dioxo-2-pyrrolidin-1-ylcyclobut-1-en-1-yl)-beta-alanyl]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-{[N-(3,4-dioxo-2-pyrrolidin-1-ylcyclobut-1-en-1-yl)-beta-alanyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{[N-(3,4-dioxo-2-pyrrolidin-1-ylcyclobut-1-en-1-yl)-beta-alanyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.