![3-((4-(Benzo[d][1,3]dioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl)sulfonyl)-N-(3-chloro-4-(1H-pyrrol-1-yl)phenyl)propanamide structure](/static/products/6855/685526-59-4.webp)
3-((4-(Benzo[d][1,3]dioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl)sulfonyl)-N-(3-chloro-4-(1H-pyrrol-1-yl)phenyl)propanamide
TL;DR: 3-((4-(Benzo[d][1,3]dioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl)sulfonyl)-N-(3-chloro-4-(1H-pyrrol-1-yl)phenyl)propanamide (CAS 685526-59-4) is a chemical compound with molecular formula C25H18ClF3N4O5S and molecular weight 578.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-N-(3-chloro-4-pyrrol-1-ylphenyl)propanamide
Also Known As: 3-((4-(Benzo[d][1,3]dioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl)sulfonyl)-N-(3-chloro-4-(1H-pyrrol-1-yl)phenyl)propanamide, 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-N-(3-chloro-4-pyrrol-1-ylphenyl)propanamide, 3-{[4-(2H-1,3-BENZODIOXOL-5-YL)-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]SULFONYL}-N-[3-CHLORO-4-(1H-PYRROL-1-YL)PHENYL]PROPANAMIDE, 3-{[4-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sul fonyl}-N-(3-chloro-4-pyrrolylphenyl)propanamide
| Molecular Formula | C25H18ClF3N4O5S |
|---|---|
| Molecular Weight | 578.06 g/mol |
| LogP | 5.1377 |
| Topological Polar Surface Area | 112.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 578.06384 |
| Heavy Atoms | 39 |
| Complexity | 1660.9213 |
Chemical Identifiers
| CAS Number | 685526-59-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=CC(=NC(=N3)S(=O)(=O)CCC(=O)NC4=CC(=C(C=C4)N5C=CC=C5)Cl)C(F)(F)F |
Product Overview
3-((4-(Benzo[d][1,3]dioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl)sulfonyl)-N-(3-chloro-4-(1H-pyrrol-1-yl)phenyl)propanamide (CAS 685526-59-4), with molecular formula C25H18ClF3N4O5S and molecular weight 578.06 g/mol. IUPAC: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-N-(3-chloro-4-pyrrol-1-ylphenyl)propanamide.
Chemical Property Profile of 3-((4-(Benzo[d][1,3]dioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl)sulfonyl)-N-(3-chloro-4-(1H-pyrrol-1-yl)phenyl)propanamide
Property Insights of 3-((4-(Benzo[d][1,3]dioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl)sulfonyl)-N-(3-chloro-4-(1H-pyrrol-1-yl)phenyl)propanamide
The XLogP value of 5.1377 indicates that 3-((4-(Benzo[d][1,3]dioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl)sulfonyl)-N-(3-chloro-4-(1H-pyrrol-1-yl)phenyl)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-(Benzo[d][1,3]dioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl)sulfonyl)-N-(3-chloro-4-(1H-pyrrol-1-yl)phenyl)propanamide. Following Lipinski's Rule of Five, 3-((4-(Benzo[d][1,3]dioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl)sulfonyl)-N-(3-chloro-4-(1H-pyrrol-1-yl)phenyl)propanamide 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 3-((4-(Benzo[d][1,3]dioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl)sulfonyl)-N-(3-chloro-4-(1H-pyrrol-1-yl)phenyl)propanamide?
The CAS number of 3-((4-(Benzo[d][1,3]dioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl)sulfonyl)-N-(3-chloro-4-(1H-pyrrol-1-yl)phenyl)propanamide is 685526-59-4.
What is the molecular formula of 3-((4-(Benzo[d][1,3]dioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl)sulfonyl)-N-(3-chloro-4-(1H-pyrrol-1-yl)phenyl)propanamide?
The molecular formula of 3-((4-(Benzo[d][1,3]dioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl)sulfonyl)-N-(3-chloro-4-(1H-pyrrol-1-yl)phenyl)propanamide is C25H18ClF3N4O5S.
What is the molecular weight of 3-((4-(Benzo[d][1,3]dioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl)sulfonyl)-N-(3-chloro-4-(1H-pyrrol-1-yl)phenyl)propanamide?
The molecular weight of 3-((4-(Benzo[d][1,3]dioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl)sulfonyl)-N-(3-chloro-4-(1H-pyrrol-1-yl)phenyl)propanamide is 578.06 g/mol.
Where can I buy 3-((4-(Benzo[d][1,3]dioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl)sulfonyl)-N-(3-chloro-4-(1H-pyrrol-1-yl)phenyl)propanamide?
You can request a quote for 3-((4-(Benzo[d][1,3]dioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl)sulfonyl)-N-(3-chloro-4-(1H-pyrrol-1-yl)phenyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4-(Benzo[d][1,3]dioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl)sulfonyl)-N-(3-chloro-4-(1H-pyrrol-1-yl)phenyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-(Benzo[d][1,3]dioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl)sulfonyl)-N-(3-chloro-4-(1H-pyrrol-1-yl)phenyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.