![[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate structure](/static/products/545/5454-65-9.png)
[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate
TL;DR: [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate (CAS 5454-65-9) is a chemical compound with molecular formula C28H28N4O5S and molecular weight 532.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate
Also Known As: [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate
| Molecular Formula | C28H28N4O5S |
|---|---|
| Molecular Weight | 532.18 g/mol |
| LogP | 3.45742 |
| Topological Polar Surface Area | 111.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 532.17804 |
| Heavy Atoms | 38 |
| Complexity | 1476.9364 |
Chemical Identifiers
| CAS Number | 5454-65-9 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CS4 |
Product Overview
[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate (CAS 5454-65-9), with molecular formula C28H28N4O5S and molecular weight 532.18 g/mol. IUPAC: [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate.
Chemical Property Profile of [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate
Property Insights of [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate
The XLogP value of 3.45742 indicates that [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.43 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate. Following Lipinski's Rule of Five, [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate has 2 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 [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate?
The CAS number of [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate is 5454-65-9.
What is the molecular formula of [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate?
The molecular formula of [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate is C28H28N4O5S.
What is the molecular weight of [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate?
The molecular weight of [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate is 532.18 g/mol.
Where can I buy [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate?
You can request a quote for [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.