5-Nitrothiophen-2-ylmethylene diacetate
TL;DR: 5-Nitrothiophen-2-ylmethylene diacetate (CAS 14289-24-8) is a chemical compound with molecular formula C9H9NO6S and molecular weight 259.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[acetyloxy-(5-nitrothiophen-2-yl)methyl] acetate
Also Known As: 5-Nitrothiophen-2-ylmethylene diacetate, 5-Nitro-2-thenylidene diacetate, 2-(Diacetoxymethyl)-5-nitrothiophene, (5-nitrothiophen-2-yl)methylene diacetate, [acetyloxy-(5-nitrothiophen-2-yl)methyl] acetate
| Molecular Formula | C9H9NO6S |
|---|---|
| Molecular Weight | 259.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 259.01505 |
| Heavy Atoms | 17 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 14289-24-8 |
|---|---|
| SMILES | CC(=O)OC(C1=CC=C(S1)[N+](=O)[O-])OC(=O)C |
| InChIKey | QYESFCLSVSNRTN-UHFFFAOYSA-N |
Product Overview
5-Nitrothiophen-2-ylmethylene diacetate (CAS 14289-24-8), with molecular formula C9H9NO6S and molecular weight 259.02 g/mol. IUPAC: [acetyloxy-(5-nitrothiophen-2-yl)methyl] acetate.
Chemical Property Profile of 5-Nitrothiophen-2-ylmethylene diacetate
Property Insights of 5-Nitrothiophen-2-ylmethylene diacetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitrothiophen-2-ylmethylene diacetate. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitrothiophen-2-ylmethylene diacetate. Following Lipinski's Rule of Five, 5-Nitrothiophen-2-ylmethylene diacetate has 0 hydrogen bond donor(s) and 7 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 5-Nitrothiophen-2-ylmethylene diacetate?
The CAS number of 5-Nitrothiophen-2-ylmethylene diacetate is 14289-24-8.
What is the molecular formula of 5-Nitrothiophen-2-ylmethylene diacetate?
The molecular formula of 5-Nitrothiophen-2-ylmethylene diacetate is C9H9NO6S.
What is the molecular weight of 5-Nitrothiophen-2-ylmethylene diacetate?
The molecular weight of 5-Nitrothiophen-2-ylmethylene diacetate is 259.02 g/mol.
Where can I buy 5-Nitrothiophen-2-ylmethylene diacetate?
You can request a quote for 5-Nitrothiophen-2-ylmethylene diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitrothiophen-2-ylmethylene diacetate?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitrothiophen-2-ylmethylene diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.