![Propan-2-yl 4-(3-chloro-4-{3-[(2-ethylphenyl)carbamoyl]anilino}-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate structure](/static/products/6894/6894-13-9.webp)
Propan-2-yl 4-(3-chloro-4-{3-[(2-ethylphenyl)carbamoyl]anilino}-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate
TL;DR: Propan-2-yl 4-(3-chloro-4-{3-[(2-ethylphenyl)carbamoyl]anilino}-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate (CAS 6894-13-9) is a chemical compound with molecular formula C29H26ClN3O5 and molecular weight 531.16 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-[(2-ethylphenyl)carbamoyl]anilino]-2,5-dioxopyrrol-1-yl]benzoate
Also Known As: Propan-2-yl 4-(3-chloro-4-{3-[(2-ethylphenyl)carbamoyl]anilino}-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate, propan-2-yl 4-[3-chloro-4-[3-[(2-ethylphenyl)carbamoyl]anilino]-2,5-dioxopyrrol-1-yl]benzoate
| Molecular Formula | C29H26ClN3O5 |
|---|---|
| Molecular Weight | 531.16 g/mol |
| LogP | 5.5022 |
| Topological Polar Surface Area | 104.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 531.1561 |
| Heavy Atoms | 38 |
| Complexity | 1446.5775 |
Chemical Identifiers
| CAS Number | 6894-13-9 |
|---|---|
| SMILES | CCC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)NC3=C(C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OC(C)C)Cl |
Product Overview
Propan-2-yl 4-(3-chloro-4-{3-[(2-ethylphenyl)carbamoyl]anilino}-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate (CAS 6894-13-9), with molecular formula C29H26ClN3O5 and molecular weight 531.16 g/mol. IUPAC: propan-2-yl 4-[3-chloro-4-[3-[(2-ethylphenyl)carbamoyl]anilino]-2,5-dioxopyrrol-1-yl]benzoate.
Chemical Property Profile of Propan-2-yl 4-(3-chloro-4-{3-[(2-ethylphenyl)carbamoyl]anilino}-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate
Property Insights of Propan-2-yl 4-(3-chloro-4-{3-[(2-ethylphenyl)carbamoyl]anilino}-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate
The XLogP value of 5.5022 indicates that Propan-2-yl 4-(3-chloro-4-{3-[(2-ethylphenyl)carbamoyl]anilino}-2,5-dioxo-2,5-dihydro-1H-pyrrol-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-[(2-ethylphenyl)carbamoyl]anilino}-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate. Following Lipinski's Rule of Five, Propan-2-yl 4-(3-chloro-4-{3-[(2-ethylphenyl)carbamoyl]anilino}-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate has 2 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 Propan-2-yl 4-(3-chloro-4-{3-[(2-ethylphenyl)carbamoyl]anilino}-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate?
The CAS number of Propan-2-yl 4-(3-chloro-4-{3-[(2-ethylphenyl)carbamoyl]anilino}-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate is 6894-13-9.
What is the molecular formula of Propan-2-yl 4-(3-chloro-4-{3-[(2-ethylphenyl)carbamoyl]anilino}-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate?
The molecular formula of Propan-2-yl 4-(3-chloro-4-{3-[(2-ethylphenyl)carbamoyl]anilino}-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate is C29H26ClN3O5.
What is the molecular weight of Propan-2-yl 4-(3-chloro-4-{3-[(2-ethylphenyl)carbamoyl]anilino}-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate?
The molecular weight of Propan-2-yl 4-(3-chloro-4-{3-[(2-ethylphenyl)carbamoyl]anilino}-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate is 531.16 g/mol.
Where can I buy Propan-2-yl 4-(3-chloro-4-{3-[(2-ethylphenyl)carbamoyl]anilino}-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate?
You can request a quote for Propan-2-yl 4-(3-chloro-4-{3-[(2-ethylphenyl)carbamoyl]anilino}-2,5-dioxo-2,5-dihydro-1H-pyrrol-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-[(2-ethylphenyl)carbamoyl]anilino}-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 4-(3-chloro-4-{3-[(2-ethylphenyl)carbamoyl]anilino}-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.