(Z)-methyl 2-(2-cyano-3-(3-phenyl-1H-pyrazol-4-yl)acrylamido)benzoate
TL;DR: (Z)-methyl 2-(2-cyano-3-(3-phenyl-1H-pyrazol-4-yl)acrylamido)benzoate (CAS 1007192-43-9) is a chemical compound with molecular formula C21H16N4O3 and molecular weight 372.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(Z)-2-cyano-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enoyl]amino]benzoate
Also Known As: F1711-0360, (Z)-methyl 2-(2-cyano-3-(3-phenyl-1H-pyrazol-4-yl)acrylamido)benzoate, methyl 2-[[(Z)-2-cyano-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enoyl]amino]benzoate, methyl 2-[(2Z)-2-cyano-3-(3-phenylpyrazol-4-yl)prop-2-enoylamino]benzoate, methyl 2-{[(2Z)-2-cyano-3-(3-phenyl-1H-pyrazol-4-yl)prop-2-enoyl]amino}benzoate
| Molecular Formula | C21H16N4O3 |
|---|---|
| Molecular Weight | 372.12 g/mol |
| LogP | 3.40898 |
| Topological Polar Surface Area | 107.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.12225 |
| Heavy Atoms | 28 |
| Complexity | 1078.285 |
Chemical Identifiers
| CAS Number | 1007192-43-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)/C(=C\C2=C(NN=C2)C3=CC=CC=C3)/C#N |
Product Overview
(Z)-methyl 2-(2-cyano-3-(3-phenyl-1H-pyrazol-4-yl)acrylamido)benzoate (CAS 1007192-43-9), with molecular formula C21H16N4O3 and molecular weight 372.12 g/mol. IUPAC: methyl 2-[[(Z)-2-cyano-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enoyl]amino]benzoate.
Chemical Property Profile of (Z)-methyl 2-(2-cyano-3-(3-phenyl-1H-pyrazol-4-yl)acrylamido)benzoate
Property Insights of (Z)-methyl 2-(2-cyano-3-(3-phenyl-1H-pyrazol-4-yl)acrylamido)benzoate
The XLogP value of 3.40898 indicates that (Z)-methyl 2-(2-cyano-3-(3-phenyl-1H-pyrazol-4-yl)acrylamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.87 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 2-(2-cyano-3-(3-phenyl-1H-pyrazol-4-yl)acrylamido)benzoate. Following Lipinski's Rule of Five, (Z)-methyl 2-(2-cyano-3-(3-phenyl-1H-pyrazol-4-yl)acrylamido)benzoate has 2 hydrogen bond donor(s) and 5 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 (Z)-methyl 2-(2-cyano-3-(3-phenyl-1H-pyrazol-4-yl)acrylamido)benzoate?
The CAS number of (Z)-methyl 2-(2-cyano-3-(3-phenyl-1H-pyrazol-4-yl)acrylamido)benzoate is 1007192-43-9.
What is the molecular formula of (Z)-methyl 2-(2-cyano-3-(3-phenyl-1H-pyrazol-4-yl)acrylamido)benzoate?
The molecular formula of (Z)-methyl 2-(2-cyano-3-(3-phenyl-1H-pyrazol-4-yl)acrylamido)benzoate is C21H16N4O3.
What is the molecular weight of (Z)-methyl 2-(2-cyano-3-(3-phenyl-1H-pyrazol-4-yl)acrylamido)benzoate?
The molecular weight of (Z)-methyl 2-(2-cyano-3-(3-phenyl-1H-pyrazol-4-yl)acrylamido)benzoate is 372.12 g/mol.
Where can I buy (Z)-methyl 2-(2-cyano-3-(3-phenyl-1H-pyrazol-4-yl)acrylamido)benzoate?
You can request a quote for (Z)-methyl 2-(2-cyano-3-(3-phenyl-1H-pyrazol-4-yl)acrylamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-methyl 2-(2-cyano-3-(3-phenyl-1H-pyrazol-4-yl)acrylamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 2-(2-cyano-3-(3-phenyl-1H-pyrazol-4-yl)acrylamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.