![N-{(2S)-1-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-3-methyl-1-oxo-2-butanyl}-2-[(4-methoxybenzoyl)amino]benzamide structure](/static/products/4712/471259-67-3.webp)
N-{(2S)-1-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-3-methyl-1-oxo-2-butanyl}-2-[(4-methoxybenzoyl)amino]benzamide
TL;DR: N-{(2S)-1-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-3-methyl-1-oxo-2-butanyl}-2-[(4-methoxybenzoyl)amino]benzamide (CAS 471259-67-3) is a chemical compound with molecular formula C31H33N5O5 and molecular weight 555.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
Also Known As: N-{(2S)-1-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-3-methyl-1-oxo-2-butanyl}-2-[(4-methoxybenzoyl)amino]benzamide, N-[(2S)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide, BENZAMIDE, N-[(1S)-1-[[(2,3-DIHYDRO-1,5-DIMETHYL-3-OXO-2-PHENYL-1H-PYRAZOL-4-YL)AMINO]CARBONYL]-2-METHYLPROPYL]-2-[(4-METHOXYBENZOYL)AMINO]-, BENZAMIDE,N-[(1S)-1-[[(2,3-DIHYDRO-1,5-DIMETHYL-3-OXO-2-PHENYL-1H-PYRAZOL-4-YL)AMINO]CARBONYL]-2-METHYLPROPYL]-2-[(4-METHOXYBENZOYL)AMINO], N-{(2S)-1-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-3-methyl-1-oxobutan-2-yl}-2-(4-methoxybenzamido)benzamide
| Molecular Formula | C31H33N5O5 |
|---|---|
| Molecular Weight | 555.25 g/mol |
| LogP | 4.13842 |
| Topological Polar Surface Area | 123.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 555.24817 |
| Heavy Atoms | 41 |
| Complexity | 1621.0992 |
Chemical Identifiers
| CAS Number | 471259-67-3 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)C3=CC=CC=C3NC(=O)C4=CC=C(C=C4)OC |
Product Overview
N-{(2S)-1-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-3-methyl-1-oxo-2-butanyl}-2-[(4-methoxybenzoyl)amino]benzamide (CAS 471259-67-3), with molecular formula C31H33N5O5 and molecular weight 555.25 g/mol. IUPAC: N-[(2S)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide.
Chemical Property Profile of N-{(2S)-1-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-3-methyl-1-oxo-2-butanyl}-2-[(4-methoxybenzoyl)amino]benzamide
Property Insights of N-{(2S)-1-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-3-methyl-1-oxo-2-butanyl}-2-[(4-methoxybenzoyl)amino]benzamide
The XLogP value of 4.13842 indicates that N-{(2S)-1-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-3-methyl-1-oxo-2-butanyl}-2-[(4-methoxybenzoyl)amino]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.46 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{(2S)-1-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-3-methyl-1-oxo-2-butanyl}-2-[(4-methoxybenzoyl)amino]benzamide. Following Lipinski's Rule of Five, N-{(2S)-1-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-3-methyl-1-oxo-2-butanyl}-2-[(4-methoxybenzoyl)amino]benzamide has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-{(2S)-1-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-3-methyl-1-oxo-2-butanyl}-2-[(4-methoxybenzoyl)amino]benzamide?
The CAS number of N-{(2S)-1-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-3-methyl-1-oxo-2-butanyl}-2-[(4-methoxybenzoyl)amino]benzamide is 471259-67-3.
What is the molecular formula of N-{(2S)-1-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-3-methyl-1-oxo-2-butanyl}-2-[(4-methoxybenzoyl)amino]benzamide?
The molecular formula of N-{(2S)-1-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-3-methyl-1-oxo-2-butanyl}-2-[(4-methoxybenzoyl)amino]benzamide is C31H33N5O5.
What is the molecular weight of N-{(2S)-1-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-3-methyl-1-oxo-2-butanyl}-2-[(4-methoxybenzoyl)amino]benzamide?
The molecular weight of N-{(2S)-1-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-3-methyl-1-oxo-2-butanyl}-2-[(4-methoxybenzoyl)amino]benzamide is 555.25 g/mol.
Where can I buy N-{(2S)-1-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-3-methyl-1-oxo-2-butanyl}-2-[(4-methoxybenzoyl)amino]benzamide?
You can request a quote for N-{(2S)-1-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-3-methyl-1-oxo-2-butanyl}-2-[(4-methoxybenzoyl)amino]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{(2S)-1-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-3-methyl-1-oxo-2-butanyl}-2-[(4-methoxybenzoyl)amino]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{(2S)-1-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-3-methyl-1-oxo-2-butanyl}-2-[(4-methoxybenzoyl)amino]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.