![propan-2-yl 4-[3-chloro-4-[3-(cyclopentylcarbamoyl)anilino]-2,5-dioxopyrrol-1-yl]benzoate structure](/static/products/6894/6894-15-1.webp)
propan-2-yl 4-[3-chloro-4-[3-(cyclopentylcarbamoyl)anilino]-2,5-dioxopyrrol-1-yl]benzoate
TL;DR: propan-2-yl 4-[3-chloro-4-[3-(cyclopentylcarbamoyl)anilino]-2,5-dioxopyrrol-1-yl]benzoate (CAS 6894-15-1) is a chemical compound with molecular formula C26H26ClN3O5 and molecular weight 495.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-[3-chloro-4-[3-(cyclopentylcarbamoyl)anilino]-2,5-dioxopyrrol-1-yl]benzoate
Also Known As: propan-2-yl 4-[3-chloro-4-[3-(cyclopentylcarbamoyl)anilino]-2,5-dioxopyrrol-1-yl]benzoate, Propan-2-yl 4-[3-chloro-4-[[3-(cyclopentylcarbamoyl)phenyl]amino]-2,5-dioxo-pyrrol-1-yl]benzoate, Propan-2-yl 4-{3-chloro-4-[3-(cyclopentylcarbamoyl)anilino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl}benzoate
| Molecular Formula | C26H26ClN3O5 |
|---|---|
| Molecular Weight | 495.16 g/mol |
| LogP | 4.3599 |
| Topological Polar Surface Area | 104.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.1561 |
| Heavy Atoms | 35 |
| Complexity | 1199.7229 |
Chemical Identifiers
| CAS Number | 6894-15-1 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4CCCC4 |
Product Overview
propan-2-yl 4-[3-chloro-4-[3-(cyclopentylcarbamoyl)anilino]-2,5-dioxopyrrol-1-yl]benzoate (CAS 6894-15-1), with molecular formula C26H26ClN3O5 and molecular weight 495.16 g/mol. IUPAC: propan-2-yl 4-[3-chloro-4-[3-(cyclopentylcarbamoyl)anilino]-2,5-dioxopyrrol-1-yl]benzoate.
Chemical Property Profile of propan-2-yl 4-[3-chloro-4-[3-(cyclopentylcarbamoyl)anilino]-2,5-dioxopyrrol-1-yl]benzoate
Property Insights of propan-2-yl 4-[3-chloro-4-[3-(cyclopentylcarbamoyl)anilino]-2,5-dioxopyrrol-1-yl]benzoate
The XLogP value of 4.3599 indicates that propan-2-yl 4-[3-chloro-4-[3-(cyclopentylcarbamoyl)anilino]-2,5-dioxopyrrol-1-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.81 Ų falls within the moderate polarity range, balancing permeability and solubility for propan-2-yl 4-[3-chloro-4-[3-(cyclopentylcarbamoyl)anilino]-2,5-dioxopyrrol-1-yl]benzoate. Following Lipinski's Rule of Five, propan-2-yl 4-[3-chloro-4-[3-(cyclopentylcarbamoyl)anilino]-2,5-dioxopyrrol-1-yl]benzoate has 2 hydrogen bond donor(s) and 6 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 propan-2-yl 4-[3-chloro-4-[3-(cyclopentylcarbamoyl)anilino]-2,5-dioxopyrrol-1-yl]benzoate?
The CAS number of propan-2-yl 4-[3-chloro-4-[3-(cyclopentylcarbamoyl)anilino]-2,5-dioxopyrrol-1-yl]benzoate is 6894-15-1.
What is the molecular formula of propan-2-yl 4-[3-chloro-4-[3-(cyclopentylcarbamoyl)anilino]-2,5-dioxopyrrol-1-yl]benzoate?
The molecular formula of propan-2-yl 4-[3-chloro-4-[3-(cyclopentylcarbamoyl)anilino]-2,5-dioxopyrrol-1-yl]benzoate is C26H26ClN3O5.
What is the molecular weight of propan-2-yl 4-[3-chloro-4-[3-(cyclopentylcarbamoyl)anilino]-2,5-dioxopyrrol-1-yl]benzoate?
The molecular weight of propan-2-yl 4-[3-chloro-4-[3-(cyclopentylcarbamoyl)anilino]-2,5-dioxopyrrol-1-yl]benzoate is 495.16 g/mol.
Where can I buy propan-2-yl 4-[3-chloro-4-[3-(cyclopentylcarbamoyl)anilino]-2,5-dioxopyrrol-1-yl]benzoate?
You can request a quote for propan-2-yl 4-[3-chloro-4-[3-(cyclopentylcarbamoyl)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 propan-2-yl 4-[3-chloro-4-[3-(cyclopentylcarbamoyl)anilino]-2,5-dioxopyrrol-1-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for propan-2-yl 4-[3-chloro-4-[3-(cyclopentylcarbamoyl)anilino]-2,5-dioxopyrrol-1-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.