![Propyl 4-(3-{4-[(4-tert-butylphenoxy)carbonyl]anilino}-4-chloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate structure](/static/products/6906/6906-86-1.webp)
Propyl 4-(3-{4-[(4-tert-butylphenoxy)carbonyl]anilino}-4-chloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate
TL;DR: Propyl 4-(3-{4-[(4-tert-butylphenoxy)carbonyl]anilino}-4-chloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate (CAS 6906-86-1) is a chemical compound with molecular formula C31H29ClN2O6 and molecular weight 560.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylphenyl) 4-[[4-chloro-2,5-dioxo-1-(4-propoxycarbonylphenyl)pyrrol-3-yl]amino]benzoate
Also Known As: Propyl 4-(3-{4-[(4-tert-butylphenoxy)carbonyl]anilino}-4-chloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate, (4-tert-butylphenyl) 4-[[4-chloro-2,5-dioxo-1-(4-propoxycarbonylphenyl)pyrrol-3-yl]amino]benzoate, Propyl 4-[3-chloro-2,5-dioxo-4-[[4-(4-tert-butylphenoxy)carbonylphenyl]amino]pyrrol-1-yl]benzoate
| Molecular Formula | C31H29ClN2O6 |
|---|---|
| Molecular Weight | 560.17 g/mol |
| LogP | 6.2058 |
| Topological Polar Surface Area | 102.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 560.1714 |
| Heavy Atoms | 40 |
| Complexity | 1470.2052 |
Chemical Identifiers
| CAS Number | 6906-86-1 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)OC4=CC=C(C=C4)C(C)(C)C |
Product Overview
Propyl 4-(3-{4-[(4-tert-butylphenoxy)carbonyl]anilino}-4-chloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate (CAS 6906-86-1), with molecular formula C31H29ClN2O6 and molecular weight 560.17 g/mol. IUPAC: (4-tert-butylphenyl) 4-[[4-chloro-2,5-dioxo-1-(4-propoxycarbonylphenyl)pyrrol-3-yl]amino]benzoate.
Chemical Property Profile of Propyl 4-(3-{4-[(4-tert-butylphenoxy)carbonyl]anilino}-4-chloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate
Property Insights of Propyl 4-(3-{4-[(4-tert-butylphenoxy)carbonyl]anilino}-4-chloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate
The XLogP value of 6.2058 indicates that Propyl 4-(3-{4-[(4-tert-butylphenoxy)carbonyl]anilino}-4-chloro-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 102.01 Ų falls within the moderate polarity range, balancing permeability and solubility for Propyl 4-(3-{4-[(4-tert-butylphenoxy)carbonyl]anilino}-4-chloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate. Following Lipinski's Rule of Five, Propyl 4-(3-{4-[(4-tert-butylphenoxy)carbonyl]anilino}-4-chloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propyl 4-(3-{4-[(4-tert-butylphenoxy)carbonyl]anilino}-4-chloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate?
The CAS number of Propyl 4-(3-{4-[(4-tert-butylphenoxy)carbonyl]anilino}-4-chloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate is 6906-86-1.
What is the molecular formula of Propyl 4-(3-{4-[(4-tert-butylphenoxy)carbonyl]anilino}-4-chloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate?
The molecular formula of Propyl 4-(3-{4-[(4-tert-butylphenoxy)carbonyl]anilino}-4-chloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate is C31H29ClN2O6.
What is the molecular weight of Propyl 4-(3-{4-[(4-tert-butylphenoxy)carbonyl]anilino}-4-chloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate?
The molecular weight of Propyl 4-(3-{4-[(4-tert-butylphenoxy)carbonyl]anilino}-4-chloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate is 560.17 g/mol.
Where can I buy Propyl 4-(3-{4-[(4-tert-butylphenoxy)carbonyl]anilino}-4-chloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate?
You can request a quote for Propyl 4-(3-{4-[(4-tert-butylphenoxy)carbonyl]anilino}-4-chloro-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 Propyl 4-(3-{4-[(4-tert-butylphenoxy)carbonyl]anilino}-4-chloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 4-(3-{4-[(4-tert-butylphenoxy)carbonyl]anilino}-4-chloro-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.