(E)-3-(3-nitro-4-pyridin-2-ylsulfanylphenyl)prop-2-enoic acid
TL;DR: (E)-3-(3-nitro-4-pyridin-2-ylsulfanylphenyl)prop-2-enoic acid (CAS 175278-56-5) is a chemical compound with molecular formula C14H10N2O4S and molecular weight 302.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-nitro-4-pyridin-2-ylsulfanylphenyl)prop-2-enoic acid
Also Known As: 3-[3-Nitro-4-(2-pyridylthio)phenyl]acrylic acid, (E)-3-(3-nitro-4-pyridin-2-ylsulfanylphenyl)prop-2-enoic acid, 3-(3-nitro-4-pyridin-2-ylsulfanylphenyl)prop-2-enoic acid, 3-(3-Nitro-4-(pyridin-2-ylthio)phenyl)acrylic acid, 2-Propenoic acid,3-[3-nitro-4-(2-pyridinylthio)phenyl]-
| Molecular Formula | C14H10N2O4S |
|---|---|
| Molecular Weight | 302.04 g/mol |
| LogP | 3.2388 |
| Topological Polar Surface Area | 93.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.03613 |
| Heavy Atoms | 21 |
| Complexity | 701.3751 |
Chemical Identifiers
| CAS Number | 175278-56-5 |
|---|---|
| SMILES | C1=CC=NC(=C1)SC2=C(C=C(C=C2)C=CC(=O)O)[N+](=O)[O-] |
Product Overview
(E)-3-(3-nitro-4-pyridin-2-ylsulfanylphenyl)prop-2-enoic acid (CAS 175278-56-5), with molecular formula C14H10N2O4S and molecular weight 302.04 g/mol. IUPAC: 3-(3-nitro-4-pyridin-2-ylsulfanylphenyl)prop-2-enoic acid.
Chemical Property Profile of (E)-3-(3-nitro-4-pyridin-2-ylsulfanylphenyl)prop-2-enoic acid
Property Insights of (E)-3-(3-nitro-4-pyridin-2-ylsulfanylphenyl)prop-2-enoic acid
The XLogP value of 3.2388 indicates that (E)-3-(3-nitro-4-pyridin-2-ylsulfanylphenyl)prop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.33 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(3-nitro-4-pyridin-2-ylsulfanylphenyl)prop-2-enoic acid. Following Lipinski's Rule of Five, (E)-3-(3-nitro-4-pyridin-2-ylsulfanylphenyl)prop-2-enoic acid has 1 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-nitro-4-pyridin-2-ylsulfanylphenyl)prop-2-enoic acid?
The CAS number of (E)-3-(3-nitro-4-pyridin-2-ylsulfanylphenyl)prop-2-enoic acid is 175278-56-5.
What is the molecular formula of (E)-3-(3-nitro-4-pyridin-2-ylsulfanylphenyl)prop-2-enoic acid?
The molecular formula of (E)-3-(3-nitro-4-pyridin-2-ylsulfanylphenyl)prop-2-enoic acid is C14H10N2O4S.
What is the molecular weight of (E)-3-(3-nitro-4-pyridin-2-ylsulfanylphenyl)prop-2-enoic acid?
The molecular weight of (E)-3-(3-nitro-4-pyridin-2-ylsulfanylphenyl)prop-2-enoic acid is 302.04 g/mol.
Where can I buy (E)-3-(3-nitro-4-pyridin-2-ylsulfanylphenyl)prop-2-enoic acid?
You can request a quote for (E)-3-(3-nitro-4-pyridin-2-ylsulfanylphenyl)prop-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 (E)-3-(3-nitro-4-pyridin-2-ylsulfanylphenyl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(3-nitro-4-pyridin-2-ylsulfanylphenyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.