![1-Methyl-2-[[4-(4-morpholinyl)phenyl]amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-1H-pyrazol-4-yl]-2-propenoate structure](/static/products/957/957034-57-0.png)
1-Methyl-2-[[4-(4-morpholinyl)phenyl]amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-1H-pyrazol-4-yl]-2-propenoate
TL;DR: 1-Methyl-2-[[4-(4-morpholinyl)phenyl]amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-1H-pyrazol-4-yl]-2-propenoate (CAS 957034-57-0) is a chemical compound with molecular formula C27H29ClN4O4 and molecular weight 508.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] (E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate
Also Known As: 1-Methyl-2-[[4-(4-morpholinyl)phenyl]amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-1H-pyrazol-4-yl]-2-propenoate, [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] (E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate
| Molecular Formula | C27H29ClN4O4 |
|---|---|
| Molecular Weight | 508.19 g/mol |
| LogP | 4.31342 |
| Topological Polar Surface Area | 85.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 508.18774 |
| Heavy Atoms | 36 |
| Complexity | 1218.5756 |
Chemical Identifiers
| CAS Number | 957034-57-0 |
|---|---|
| SMILES | CC1=NN(C(=C1/C=C/C(=O)OC(C)C(=O)NC2=CC=C(C=C2)N3CCOCC3)Cl)CC4=CC=CC=C4 |
Product Overview
1-Methyl-2-[[4-(4-morpholinyl)phenyl]amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-1H-pyrazol-4-yl]-2-propenoate (CAS 957034-57-0), with molecular formula C27H29ClN4O4 and molecular weight 508.19 g/mol. IUPAC: [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] (E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate.
Chemical Property Profile of 1-Methyl-2-[[4-(4-morpholinyl)phenyl]amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-1H-pyrazol-4-yl]-2-propenoate
Property Insights of 1-Methyl-2-[[4-(4-morpholinyl)phenyl]amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-1H-pyrazol-4-yl]-2-propenoate
The XLogP value of 4.31342 indicates that 1-Methyl-2-[[4-(4-morpholinyl)phenyl]amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-1H-pyrazol-4-yl]-2-propenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-2-[[4-(4-morpholinyl)phenyl]amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-1H-pyrazol-4-yl]-2-propenoate. Following Lipinski's Rule of Five, 1-Methyl-2-[[4-(4-morpholinyl)phenyl]amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-1H-pyrazol-4-yl]-2-propenoate has 1 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-Methyl-2-[[4-(4-morpholinyl)phenyl]amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-1H-pyrazol-4-yl]-2-propenoate?
The CAS number of 1-Methyl-2-[[4-(4-morpholinyl)phenyl]amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-1H-pyrazol-4-yl]-2-propenoate is 957034-57-0.
What is the molecular formula of 1-Methyl-2-[[4-(4-morpholinyl)phenyl]amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-1H-pyrazol-4-yl]-2-propenoate?
The molecular formula of 1-Methyl-2-[[4-(4-morpholinyl)phenyl]amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-1H-pyrazol-4-yl]-2-propenoate is C27H29ClN4O4.
What is the molecular weight of 1-Methyl-2-[[4-(4-morpholinyl)phenyl]amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-1H-pyrazol-4-yl]-2-propenoate?
The molecular weight of 1-Methyl-2-[[4-(4-morpholinyl)phenyl]amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-1H-pyrazol-4-yl]-2-propenoate is 508.19 g/mol.
Where can I buy 1-Methyl-2-[[4-(4-morpholinyl)phenyl]amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-1H-pyrazol-4-yl]-2-propenoate?
You can request a quote for 1-Methyl-2-[[4-(4-morpholinyl)phenyl]amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-1H-pyrazol-4-yl]-2-propenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2-[[4-(4-morpholinyl)phenyl]amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-1H-pyrazol-4-yl]-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-[[4-(4-morpholinyl)phenyl]amino]-2-oxoethyl (2E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-1H-pyrazol-4-yl]-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.