![ethyl 3-[3-chloro-4-[4-[cyclohexyl(methyl)carbamoyl]anilino]-2,5-dioxopyrrol-1-yl]benzoate structure](/static/products/6899/6899-87-2.webp)
ethyl 3-[3-chloro-4-[4-[cyclohexyl(methyl)carbamoyl]anilino]-2,5-dioxopyrrol-1-yl]benzoate
TL;DR: ethyl 3-[3-chloro-4-[4-[cyclohexyl(methyl)carbamoyl]anilino]-2,5-dioxopyrrol-1-yl]benzoate (CAS 6899-87-2) is a chemical compound with molecular formula C27H28ClN3O5 and molecular weight 509.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[3-chloro-4-[4-[cyclohexyl(methyl)carbamoyl]anilino]-2,5-dioxopyrrol-1-yl]benzoate
Also Known As: ethyl 3-[3-chloro-4-[4-[cyclohexyl(methyl)carbamoyl]anilino]-2,5-dioxopyrrol-1-yl]benzoate, Ethyl 3-(3-chloro-4-{4-[cyclohexyl(methyl)carbamoyl]anilino}-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate, Ethyl 3-[3-chloro-4-[[4-(cyclohexyl-methyl-carbamoyl)phenyl]amino]-2,5-dioxo-pyrrol-1-yl]benzoate
| Molecular Formula | C27H28ClN3O5 |
|---|---|
| Molecular Weight | 509.17 g/mol |
| LogP | 4.7037 |
| Topological Polar Surface Area | 96.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 509.17175 |
| Heavy Atoms | 36 |
| Complexity | 1218.1698 |
Chemical Identifiers
| CAS Number | 6899-87-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)N(C)C4CCCCC4 |
Product Overview
ethyl 3-[3-chloro-4-[4-[cyclohexyl(methyl)carbamoyl]anilino]-2,5-dioxopyrrol-1-yl]benzoate (CAS 6899-87-2), with molecular formula C27H28ClN3O5 and molecular weight 509.17 g/mol. IUPAC: ethyl 3-[3-chloro-4-[4-[cyclohexyl(methyl)carbamoyl]anilino]-2,5-dioxopyrrol-1-yl]benzoate.
Chemical Property Profile of ethyl 3-[3-chloro-4-[4-[cyclohexyl(methyl)carbamoyl]anilino]-2,5-dioxopyrrol-1-yl]benzoate
Property Insights of ethyl 3-[3-chloro-4-[4-[cyclohexyl(methyl)carbamoyl]anilino]-2,5-dioxopyrrol-1-yl]benzoate
The XLogP value of 4.7037 indicates that ethyl 3-[3-chloro-4-[4-[cyclohexyl(methyl)carbamoyl]anilino]-2,5-dioxopyrrol-1-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.02 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-[3-chloro-4-[4-[cyclohexyl(methyl)carbamoyl]anilino]-2,5-dioxopyrrol-1-yl]benzoate. Following Lipinski's Rule of Five, ethyl 3-[3-chloro-4-[4-[cyclohexyl(methyl)carbamoyl]anilino]-2,5-dioxopyrrol-1-yl]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 3-[3-chloro-4-[4-[cyclohexyl(methyl)carbamoyl]anilino]-2,5-dioxopyrrol-1-yl]benzoate?
The CAS number of ethyl 3-[3-chloro-4-[4-[cyclohexyl(methyl)carbamoyl]anilino]-2,5-dioxopyrrol-1-yl]benzoate is 6899-87-2.
What is the molecular formula of ethyl 3-[3-chloro-4-[4-[cyclohexyl(methyl)carbamoyl]anilino]-2,5-dioxopyrrol-1-yl]benzoate?
The molecular formula of ethyl 3-[3-chloro-4-[4-[cyclohexyl(methyl)carbamoyl]anilino]-2,5-dioxopyrrol-1-yl]benzoate is C27H28ClN3O5.
What is the molecular weight of ethyl 3-[3-chloro-4-[4-[cyclohexyl(methyl)carbamoyl]anilino]-2,5-dioxopyrrol-1-yl]benzoate?
The molecular weight of ethyl 3-[3-chloro-4-[4-[cyclohexyl(methyl)carbamoyl]anilino]-2,5-dioxopyrrol-1-yl]benzoate is 509.17 g/mol.
Where can I buy ethyl 3-[3-chloro-4-[4-[cyclohexyl(methyl)carbamoyl]anilino]-2,5-dioxopyrrol-1-yl]benzoate?
You can request a quote for ethyl 3-[3-chloro-4-[4-[cyclohexyl(methyl)carbamoyl]anilino]-2,5-dioxopyrrol-1-yl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-[3-chloro-4-[4-[cyclohexyl(methyl)carbamoyl]anilino]-2,5-dioxopyrrol-1-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-[3-chloro-4-[4-[cyclohexyl(methyl)carbamoyl]anilino]-2,5-dioxopyrrol-1-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.