(2E)-3-(5-nitrothiophen-2-yl)prop-2-enoic acid
TL;DR: (2E)-3-(5-nitrothiophen-2-yl)prop-2-enoic acid (CAS 50868-70-7) is a chemical compound with molecular formula C7H5NO4S and molecular weight 198.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(5-nitrothiophen-2-yl)prop-2-enoic acid
Also Known As: 3-(5-Nitrothiophen-2-yl)acrylic acid, (E)-3-(5-nitrothiophen-2-yl)acrylic acid, 3-(5-NITRO-2-THIENYL)ACRYLIC ACID, 3-(5-Nitro-2-thiophene)acrylic Acid, (2E)-3-(5-nitrothiophen-2-yl)prop-2-enoic acid
| Molecular Formula | C7H5NO4S |
|---|---|
| Molecular Weight | 198.99 g/mol |
| LogP | 1.7541 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.99393 |
| Heavy Atoms | 13 |
| Complexity | 368.32437 |
Chemical Identifiers
| CAS Number | 50868-70-7 |
|---|---|
| SMILES | C1=C(SC(=C1)[N+](=O)[O-])/C=C/C(=O)O |
Product Overview
(2E)-3-(5-nitrothiophen-2-yl)prop-2-enoic acid (CAS 50868-70-7), with molecular formula C7H5NO4S and molecular weight 198.99 g/mol. IUPAC: (E)-3-(5-nitrothiophen-2-yl)prop-2-enoic acid.
Chemical Property Profile of (2E)-3-(5-nitrothiophen-2-yl)prop-2-enoic acid
Property Insights of (2E)-3-(5-nitrothiophen-2-yl)prop-2-enoic acid
The XLogP value of 1.7541 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(5-nitrothiophen-2-yl)prop-2-enoic acid. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(5-nitrothiophen-2-yl)prop-2-enoic acid. Following Lipinski's Rule of Five, (2E)-3-(5-nitrothiophen-2-yl)prop-2-enoic acid has 1 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 (2E)-3-(5-nitrothiophen-2-yl)prop-2-enoic acid?
The CAS number of (2E)-3-(5-nitrothiophen-2-yl)prop-2-enoic acid is 50868-70-7.
What is the molecular formula of (2E)-3-(5-nitrothiophen-2-yl)prop-2-enoic acid?
The molecular formula of (2E)-3-(5-nitrothiophen-2-yl)prop-2-enoic acid is C7H5NO4S.
What is the molecular weight of (2E)-3-(5-nitrothiophen-2-yl)prop-2-enoic acid?
The molecular weight of (2E)-3-(5-nitrothiophen-2-yl)prop-2-enoic acid is 198.99 g/mol.
Where can I buy (2E)-3-(5-nitrothiophen-2-yl)prop-2-enoic acid?
You can request a quote for (2E)-3-(5-nitrothiophen-2-yl)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 (2E)-3-(5-nitrothiophen-2-yl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(5-nitrothiophen-2-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.