![3-(2,2-dimethylpropanoylamino)-N-[4-[6-[4-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]benzamide structure](/static/products/5838/5838-69-7.webp)
3-(2,2-dimethylpropanoylamino)-N-[4-[6-[4-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]benzamide
TL;DR: 3-(2,2-dimethylpropanoylamino)-N-[4-[6-[4-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]benzamide (CAS 5838-69-7) is a chemical compound with molecular formula C46H44N6O4 and molecular weight 744.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,2-dimethylpropanoylamino)-N-[4-[6-[4-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]benzamide
Also Known As: 3-(2,2-dimethylpropanoylamino)-N-[4-[6-[4-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]benzamide, 3-[(2,2-dimethylpropanoyl)amino]-N-(4-{6-[4-({3-[(2,2-dimethylpropanoyl)amino]benzoyl}amino)phenyl]-2-phenyl-4-pyrimidinyl}phenyl)benzamide, N,N'-[(2-Phenylpyrimidine-4,6-diyl)di(4,1-phenylene)]bis[3-(2,2-dimethylpropanamido)benzamide], N,N'-[(2-phenylpyrimidine-4,6-diyl)dibenzene-4,1-diyl]bis{3-[(2,2-dimethylpropanoyl)amino]benzamide}
| Molecular Formula | C46H44N6O4 |
|---|---|
| Molecular Weight | 744.34 g/mol |
| LogP | 9.9514 |
| Topological Polar Surface Area | 142.18 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 744.3424 |
| Heavy Atoms | 56 |
| Complexity | 2247.9263 |
Chemical Identifiers
| CAS Number | 5838-69-7 |
|---|---|
| SMILES | CC(C)(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C3=CC(=NC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)NC(=O)C6=CC(=CC=C6)NC(=O)C(C)(C)C |
Product Overview
3-(2,2-dimethylpropanoylamino)-N-[4-[6-[4-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]benzamide (CAS 5838-69-7), with molecular formula C46H44N6O4 and molecular weight 744.34 g/mol. IUPAC: 3-(2,2-dimethylpropanoylamino)-N-[4-[6-[4-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]benzamide.
Chemical Property Profile of 3-(2,2-dimethylpropanoylamino)-N-[4-[6-[4-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]benzamide
Property Insights of 3-(2,2-dimethylpropanoylamino)-N-[4-[6-[4-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]benzamide
The XLogP value of 9.9514 indicates that 3-(2,2-dimethylpropanoylamino)-N-[4-[6-[4-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.18 Ų indicates high polarity, suggesting 3-(2,2-dimethylpropanoylamino)-N-[4-[6-[4-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]benzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(2,2-dimethylpropanoylamino)-N-[4-[6-[4-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]benzamide has 4 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 3-(2,2-dimethylpropanoylamino)-N-[4-[6-[4-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]benzamide?
The CAS number of 3-(2,2-dimethylpropanoylamino)-N-[4-[6-[4-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]benzamide is 5838-69-7.
What is the molecular formula of 3-(2,2-dimethylpropanoylamino)-N-[4-[6-[4-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]benzamide?
The molecular formula of 3-(2,2-dimethylpropanoylamino)-N-[4-[6-[4-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]benzamide is C46H44N6O4.
What is the molecular weight of 3-(2,2-dimethylpropanoylamino)-N-[4-[6-[4-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]benzamide?
The molecular weight of 3-(2,2-dimethylpropanoylamino)-N-[4-[6-[4-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]benzamide is 744.34 g/mol.
Where can I buy 3-(2,2-dimethylpropanoylamino)-N-[4-[6-[4-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]benzamide?
You can request a quote for 3-(2,2-dimethylpropanoylamino)-N-[4-[6-[4-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,2-dimethylpropanoylamino)-N-[4-[6-[4-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,2-dimethylpropanoylamino)-N-[4-[6-[4-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.