![3-[3-(4-bromophenyl)-1-(2-carbamoylethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid structure](/static/products/1006/1006493-49-7.webp)
3-[3-(4-bromophenyl)-1-(2-carbamoylethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid
TL;DR: 3-[3-(4-bromophenyl)-1-(2-carbamoylethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid (CAS 1006493-49-7) is a chemical compound with molecular formula C16H13BrN4O3 and molecular weight 388.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[1-(3-amino-3-oxopropyl)-3-(4-bromophenyl)pyrazol-4-yl]-2-cyanoprop-2-enoic acid
Also Known As: 3-[3-(4-bromophenyl)-1-(2-carbamoylethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid, (E)-3-[1-(3-amino-3-oxopropyl)-3-(4-bromophenyl)pyrazol-4-yl]-2-cyanoprop-2-enoic acid, 3-(1-(3-Amino-3-oxopropyl)-3-(4-bromophenyl)-1h-pyrazol-4-yl)-2-cyanoacrylic acid, 3-[3-(4-bromophenyl)-1-(2-carbamoylethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoicacid, 3-[3-(4-bromophenyl)-1-(2-carbamoylethyl)pyrazol-4-yl]-2-cyano-prop-2-enoic Acid
| Molecular Formula | C16H13BrN4O3 |
|---|---|
| Molecular Weight | 388.02 g/mol |
| LogP | 2.17958 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.0171 |
| Heavy Atoms | 24 |
| Complexity | 847.19775 |
Chemical Identifiers
| CAS Number | 1006493-49-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NN(C=C2/C=C(\C#N)/C(=O)O)CCC(=O)N)Br |
Product Overview
3-[3-(4-bromophenyl)-1-(2-carbamoylethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid (CAS 1006493-49-7), with molecular formula C16H13BrN4O3 and molecular weight 388.02 g/mol. IUPAC: (E)-3-[1-(3-amino-3-oxopropyl)-3-(4-bromophenyl)pyrazol-4-yl]-2-cyanoprop-2-enoic acid.
Chemical Property Profile of 3-[3-(4-bromophenyl)-1-(2-carbamoylethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid
Property Insights of 3-[3-(4-bromophenyl)-1-(2-carbamoylethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid
The XLogP value of 2.17958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-(4-bromophenyl)-1-(2-carbamoylethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-(4-bromophenyl)-1-(2-carbamoylethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid. Following Lipinski's Rule of Five, 3-[3-(4-bromophenyl)-1-(2-carbamoylethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid has 2 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 3-[3-(4-bromophenyl)-1-(2-carbamoylethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid?
The CAS number of 3-[3-(4-bromophenyl)-1-(2-carbamoylethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid is 1006493-49-7.
What is the molecular formula of 3-[3-(4-bromophenyl)-1-(2-carbamoylethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid?
The molecular formula of 3-[3-(4-bromophenyl)-1-(2-carbamoylethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid is C16H13BrN4O3.
What is the molecular weight of 3-[3-(4-bromophenyl)-1-(2-carbamoylethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid?
The molecular weight of 3-[3-(4-bromophenyl)-1-(2-carbamoylethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid is 388.02 g/mol.
Where can I buy 3-[3-(4-bromophenyl)-1-(2-carbamoylethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid?
You can request a quote for 3-[3-(4-bromophenyl)-1-(2-carbamoylethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-(4-bromophenyl)-1-(2-carbamoylethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(4-bromophenyl)-1-(2-carbamoylethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.