N~2~-benzyl-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-alpha-asparagine
TL;DR: N~2~-benzyl-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-alpha-asparagine (CAS 1031747-99-5) is a chemical compound with molecular formula C22H24N4O4 and molecular weight 408.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzylamino)-4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-oxobutanoic acid
Also Known As: N~2~-benzyl-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-alpha-asparagine, 3-(benzylamino)-3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamoyl]propanoic Acid, 3-(benzylamino)-4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-oxobutanoic acid, 3-(benzylamino)-4-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)-4-oxobutanoic acid
| Molecular Formula | C22H24N4O4 |
|---|---|
| Molecular Weight | 408.18 g/mol |
| LogP | 2.05602 |
| Topological Polar Surface Area | 105.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 408.17975 |
| Heavy Atoms | 30 |
| Complexity | 1087.5753 |
Chemical Identifiers
| CAS Number | 1031747-99-5 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(CC(=O)O)NCC3=CC=CC=C3 |
Product Overview
N~2~-benzyl-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-alpha-asparagine (CAS 1031747-99-5), with molecular formula C22H24N4O4 and molecular weight 408.18 g/mol. IUPAC: 3-(benzylamino)-4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-oxobutanoic acid.
Chemical Property Profile of N~2~-benzyl-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-alpha-asparagine
Property Insights of N~2~-benzyl-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-alpha-asparagine
The XLogP value of 2.05602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~2~-benzyl-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-alpha-asparagine. The TPSA of 105.36 Ų falls within the moderate polarity range, balancing permeability and solubility for N~2~-benzyl-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-alpha-asparagine. Following Lipinski's Rule of Five, N~2~-benzyl-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-alpha-asparagine has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N~2~-benzyl-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-alpha-asparagine?
The CAS number of N~2~-benzyl-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-alpha-asparagine is 1031747-99-5.
What is the molecular formula of N~2~-benzyl-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-alpha-asparagine?
The molecular formula of N~2~-benzyl-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-alpha-asparagine is C22H24N4O4.
What is the molecular weight of N~2~-benzyl-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-alpha-asparagine?
The molecular weight of N~2~-benzyl-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-alpha-asparagine is 408.18 g/mol.
Where can I buy N~2~-benzyl-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-alpha-asparagine?
You can request a quote for N~2~-benzyl-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-alpha-asparagine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~2~-benzyl-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-alpha-asparagine?
Yes, KEHONG BIO provides custom synthesis services for N~2~-benzyl-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-alpha-asparagine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.