![3-[1-(3-amino-3-oxopropyl)-3-(3-bromophenyl)pyrazol-4-yl]-2-cyanoprop-2-enoic acid structure](/static/products/956/956386-98-4.png)
3-[1-(3-amino-3-oxopropyl)-3-(3-bromophenyl)pyrazol-4-yl]-2-cyanoprop-2-enoic acid
TL;DR: 3-[1-(3-amino-3-oxopropyl)-3-(3-bromophenyl)pyrazol-4-yl]-2-cyanoprop-2-enoic acid (CAS 956386-98-4) 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.
3-[1-(3-amino-3-oxopropyl)-3-(3-bromophenyl)pyrazol-4-yl]-2-cyanoprop-2-enoic acid
Also Known As: 3-[1-(3-amino-3-oxopropyl)-3-(3-bromophenyl)pyrazol-4-yl]-2-cyanoprop-2-enoic acid, 3-[1-(3-Amino-3-oxopropyl)-3-(3-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-2-propenoic acid, 3-[3-(3-bromophenyl)-1-(2-carbamoylethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid, (2Z)-3-[1-(3-amino-3-oxopropyl)-3-(3-bromophenyl)-1H-pyrazol-4-yl]-2-cyanoacrylic acid, 3-[1-(3-Amino-3-oxopropyl)-3-(3-bromophenyl)-1H-pyrazol-4-yl]-2-cyanoprop-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 | 864.44775 |
Chemical Identifiers
| CAS Number | 956386-98-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)C2=NN(C=C2C=C(C#N)C(=O)O)CCC(=O)N |
Product Overview
3-[1-(3-amino-3-oxopropyl)-3-(3-bromophenyl)pyrazol-4-yl]-2-cyanoprop-2-enoic acid (CAS 956386-98-4), with molecular formula C16H13BrN4O3 and molecular weight 388.02 g/mol. IUPAC: 3-[1-(3-amino-3-oxopropyl)-3-(3-bromophenyl)pyrazol-4-yl]-2-cyanoprop-2-enoic acid.
Chemical Property Profile of 3-[1-(3-amino-3-oxopropyl)-3-(3-bromophenyl)pyrazol-4-yl]-2-cyanoprop-2-enoic acid
Property Insights of 3-[1-(3-amino-3-oxopropyl)-3-(3-bromophenyl)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-[1-(3-amino-3-oxopropyl)-3-(3-bromophenyl)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-[1-(3-amino-3-oxopropyl)-3-(3-bromophenyl)pyrazol-4-yl]-2-cyanoprop-2-enoic acid. Following Lipinski's Rule of Five, 3-[1-(3-amino-3-oxopropyl)-3-(3-bromophenyl)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-[1-(3-amino-3-oxopropyl)-3-(3-bromophenyl)pyrazol-4-yl]-2-cyanoprop-2-enoic acid?
The CAS number of 3-[1-(3-amino-3-oxopropyl)-3-(3-bromophenyl)pyrazol-4-yl]-2-cyanoprop-2-enoic acid is 956386-98-4.
What is the molecular formula of 3-[1-(3-amino-3-oxopropyl)-3-(3-bromophenyl)pyrazol-4-yl]-2-cyanoprop-2-enoic acid?
The molecular formula of 3-[1-(3-amino-3-oxopropyl)-3-(3-bromophenyl)pyrazol-4-yl]-2-cyanoprop-2-enoic acid is C16H13BrN4O3.
What is the molecular weight of 3-[1-(3-amino-3-oxopropyl)-3-(3-bromophenyl)pyrazol-4-yl]-2-cyanoprop-2-enoic acid?
The molecular weight of 3-[1-(3-amino-3-oxopropyl)-3-(3-bromophenyl)pyrazol-4-yl]-2-cyanoprop-2-enoic acid is 388.02 g/mol.
Where can I buy 3-[1-(3-amino-3-oxopropyl)-3-(3-bromophenyl)pyrazol-4-yl]-2-cyanoprop-2-enoic acid?
You can request a quote for 3-[1-(3-amino-3-oxopropyl)-3-(3-bromophenyl)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-[1-(3-amino-3-oxopropyl)-3-(3-bromophenyl)pyrazol-4-yl]-2-cyanoprop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[1-(3-amino-3-oxopropyl)-3-(3-bromophenyl)pyrazol-4-yl]-2-cyanoprop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.