![ETHYL 4-[[BUTYL-[[(4-FLUOROPHENYL)METHYL-[(4-OXOCHROMEN-3-YL)METHYL]CARBAMOYL]METHYL]CARBAMOYL]AMINO]BENZOATE structure](/static/products/5972/5972-89-4.webp)
ETHYL 4-[[BUTYL-[[(4-FLUOROPHENYL)METHYL-[(4-OXOCHROMEN-3-YL)METHYL]CARBAMOYL]METHYL]CARBAMOYL]AMINO]BENZOATE
TL;DR: ETHYL 4-[[BUTYL-[[(4-FLUOROPHENYL)METHYL-[(4-OXOCHROMEN-3-YL)METHYL]CARBAMOYL]METHYL]CARBAMOYL]AMINO]BENZOATE (CAS 5972-89-4) is a chemical compound with molecular formula C33H34FN3O6 and molecular weight 587.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[butyl-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]carbamoyl]amino]benzoate
Also Known As: ETHYL 4-[[BUTYL-[[(4-FLUOROPHENYL)METHYL-[(4-OXOCHROMEN-3-YL)METHYL]CARBAMOYL]METHYL]CARBAMOYL]AMINO]BENZOATE, ethyl 4-[[butyl-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]carbamoyl]amino]benzoate, Ethyl 4-{[butyl(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)carbamoyl]amino}benzoate, ETHYL 4-{[BUTYL({[(4-FLUOROPHENYL)METHYL][(4-OXO-4H-CHROMEN-3-YL)METHYL]CARBAMOYL}METHYL)CARBAMOYL]AMINO}BENZOATE
| Molecular Formula | C33H34FN3O6 |
|---|---|
| Molecular Weight | 587.24 g/mol |
| LogP | 5.9718 |
| Topological Polar Surface Area | 109.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 587.24316 |
| Heavy Atoms | 43 |
| Complexity | 1618.7731 |
Chemical Identifiers
| CAS Number | 5972-89-4 |
|---|---|
| SMILES | CCCCN(CC(=O)N(CC1=CC=C(C=C1)F)CC2=COC3=CC=CC=C3C2=O)C(=O)NC4=CC=C(C=C4)C(=O)OCC |
Product Overview
ETHYL 4-[[BUTYL-[[(4-FLUOROPHENYL)METHYL-[(4-OXOCHROMEN-3-YL)METHYL]CARBAMOYL]METHYL]CARBAMOYL]AMINO]BENZOATE (CAS 5972-89-4), with molecular formula C33H34FN3O6 and molecular weight 587.24 g/mol. IUPAC: ethyl 4-[[butyl-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]carbamoyl]amino]benzoate.
Chemical Property Profile of ETHYL 4-[[BUTYL-[[(4-FLUOROPHENYL)METHYL-[(4-OXOCHROMEN-3-YL)METHYL]CARBAMOYL]METHYL]CARBAMOYL]AMINO]BENZOATE
Property Insights of ETHYL 4-[[BUTYL-[[(4-FLUOROPHENYL)METHYL-[(4-OXOCHROMEN-3-YL)METHYL]CARBAMOYL]METHYL]CARBAMOYL]AMINO]BENZOATE
The XLogP value of 5.9718 indicates that ETHYL 4-[[BUTYL-[[(4-FLUOROPHENYL)METHYL-[(4-OXOCHROMEN-3-YL)METHYL]CARBAMOYL]METHYL]CARBAMOYL]AMINO]BENZOATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.16 Ų falls within the moderate polarity range, balancing permeability and solubility for ETHYL 4-[[BUTYL-[[(4-FLUOROPHENYL)METHYL-[(4-OXOCHROMEN-3-YL)METHYL]CARBAMOYL]METHYL]CARBAMOYL]AMINO]BENZOATE. Following Lipinski's Rule of Five, ETHYL 4-[[BUTYL-[[(4-FLUOROPHENYL)METHYL-[(4-OXOCHROMEN-3-YL)METHYL]CARBAMOYL]METHYL]CARBAMOYL]AMINO]BENZOATE has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ETHYL 4-[[BUTYL-[[(4-FLUOROPHENYL)METHYL-[(4-OXOCHROMEN-3-YL)METHYL]CARBAMOYL]METHYL]CARBAMOYL]AMINO]BENZOATE?
The CAS number of ETHYL 4-[[BUTYL-[[(4-FLUOROPHENYL)METHYL-[(4-OXOCHROMEN-3-YL)METHYL]CARBAMOYL]METHYL]CARBAMOYL]AMINO]BENZOATE is 5972-89-4.
What is the molecular formula of ETHYL 4-[[BUTYL-[[(4-FLUOROPHENYL)METHYL-[(4-OXOCHROMEN-3-YL)METHYL]CARBAMOYL]METHYL]CARBAMOYL]AMINO]BENZOATE?
The molecular formula of ETHYL 4-[[BUTYL-[[(4-FLUOROPHENYL)METHYL-[(4-OXOCHROMEN-3-YL)METHYL]CARBAMOYL]METHYL]CARBAMOYL]AMINO]BENZOATE is C33H34FN3O6.
What is the molecular weight of ETHYL 4-[[BUTYL-[[(4-FLUOROPHENYL)METHYL-[(4-OXOCHROMEN-3-YL)METHYL]CARBAMOYL]METHYL]CARBAMOYL]AMINO]BENZOATE?
The molecular weight of ETHYL 4-[[BUTYL-[[(4-FLUOROPHENYL)METHYL-[(4-OXOCHROMEN-3-YL)METHYL]CARBAMOYL]METHYL]CARBAMOYL]AMINO]BENZOATE is 587.24 g/mol.
Where can I buy ETHYL 4-[[BUTYL-[[(4-FLUOROPHENYL)METHYL-[(4-OXOCHROMEN-3-YL)METHYL]CARBAMOYL]METHYL]CARBAMOYL]AMINO]BENZOATE?
You can request a quote for ETHYL 4-[[BUTYL-[[(4-FLUOROPHENYL)METHYL-[(4-OXOCHROMEN-3-YL)METHYL]CARBAMOYL]METHYL]CARBAMOYL]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-[[BUTYL-[[(4-FLUOROPHENYL)METHYL-[(4-OXOCHROMEN-3-YL)METHYL]CARBAMOYL]METHYL]CARBAMOYL]AMINO]BENZOATE?
Yes, KEHONG BIO provides custom synthesis services for ETHYL 4-[[BUTYL-[[(4-FLUOROPHENYL)METHYL-[(4-OXOCHROMEN-3-YL)METHYL]CARBAMOYL]METHYL]CARBAMOYL]AMINO]BENZOATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.