(E)-3-(3-(3-(tert-butyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamido)phenyl)acrylic acid
TL;DR: (E)-3-(3-(3-(tert-butyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamido)phenyl)acrylic acid (CAS 376611-35-7) is a chemical compound with molecular formula C18H20N4O5 and molecular weight 372.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[3-[(3-tert-butyl-1-methyl-4-nitropyrazole-5-carbonyl)amino]phenyl]prop-2-enoic acid
Also Known As: (E)-3-(3-(3-(tert-butyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamido)phenyl)acrylic acid, 3-[3-[(2-methyl-4-nitro-5-tert-butyl-pyrazole-3-carbonyl)amino]phenyl]prop-2-enoic Acid, (2E)-3-(3-{[(3-tert-butyl-1-methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}phenyl)prop-2-enoic acid, (E)-3-[3-[(5-tert-butyl-2-methyl-4-nitropyrazole-3-carbonyl)amino]phenyl]prop-2-enoic acid
| Molecular Formula | C18H20N4O5 |
|---|---|
| Molecular Weight | 372.14 g/mol |
| LogP | 2.9759 |
| Topological Polar Surface Area | 127.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.14337 |
| Heavy Atoms | 27 |
| Complexity | 937.714 |
Chemical Identifiers
| CAS Number | 376611-35-7 |
|---|---|
| SMILES | CC(C)(C)C1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC=CC(=C2)/C=C/C(=O)O)C |
Product Overview
(E)-3-(3-(3-(tert-butyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamido)phenyl)acrylic acid (CAS 376611-35-7), with molecular formula C18H20N4O5 and molecular weight 372.14 g/mol. IUPAC: (E)-3-[3-[(3-tert-butyl-1-methyl-4-nitropyrazole-5-carbonyl)amino]phenyl]prop-2-enoic acid.
Chemical Property Profile of (E)-3-(3-(3-(tert-butyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamido)phenyl)acrylic acid
Property Insights of (E)-3-(3-(3-(tert-butyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamido)phenyl)acrylic acid
The XLogP value of 2.9759 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(3-(3-(tert-butyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamido)phenyl)acrylic acid. The TPSA of 127.36 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(3-(3-(tert-butyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamido)phenyl)acrylic acid. Following Lipinski's Rule of Five, (E)-3-(3-(3-(tert-butyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamido)phenyl)acrylic acid 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 (E)-3-(3-(3-(tert-butyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamido)phenyl)acrylic acid?
The CAS number of (E)-3-(3-(3-(tert-butyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamido)phenyl)acrylic acid is 376611-35-7.
What is the molecular formula of (E)-3-(3-(3-(tert-butyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamido)phenyl)acrylic acid?
The molecular formula of (E)-3-(3-(3-(tert-butyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamido)phenyl)acrylic acid is C18H20N4O5.
What is the molecular weight of (E)-3-(3-(3-(tert-butyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamido)phenyl)acrylic acid?
The molecular weight of (E)-3-(3-(3-(tert-butyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamido)phenyl)acrylic acid is 372.14 g/mol.
Where can I buy (E)-3-(3-(3-(tert-butyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamido)phenyl)acrylic acid?
You can request a quote for (E)-3-(3-(3-(tert-butyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamido)phenyl)acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(3-(3-(tert-butyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamido)phenyl)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(3-(3-(tert-butyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamido)phenyl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.