5-{3,5-bisnitro-2-thienyl}-1H-pyrazole
TL;DR: 5-{3,5-bisnitro-2-thienyl}-1H-pyrazole (CAS 19933-28-9) is a chemical compound with molecular formula C7H4N4O4S and molecular weight 240.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,5-dinitrothiophen-2-yl)-1H-pyrazole
Also Known As: 5-{3,5-bisnitro-2-thienyl}-1H-pyrazole, 5-(3,5-dinitrothiophen-2-yl)-1H-pyrazole, AI-942/13331056
| Molecular Formula | C7H4N4O4S |
|---|---|
| Molecular Weight | 240.00 g/mol |
| LogP | 1.9546 |
| Topological Polar Surface Area | 114.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.99533 |
| Heavy Atoms | 16 |
| Complexity | 546.74274 |
Chemical Identifiers
| CAS Number | 19933-28-9 |
|---|---|
| SMILES | C1=C(NN=C1)C2=C(C=C(S2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
5-{3,5-bisnitro-2-thienyl}-1H-pyrazole (CAS 19933-28-9), with molecular formula C7H4N4O4S and molecular weight 240.00 g/mol. IUPAC: 5-(3,5-dinitrothiophen-2-yl)-1H-pyrazole.
Chemical Property Profile of 5-{3,5-bisnitro-2-thienyl}-1H-pyrazole
Property Insights of 5-{3,5-bisnitro-2-thienyl}-1H-pyrazole
The XLogP value of 1.9546 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-{3,5-bisnitro-2-thienyl}-1H-pyrazole. The TPSA of 114.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{3,5-bisnitro-2-thienyl}-1H-pyrazole. Following Lipinski's Rule of Five, 5-{3,5-bisnitro-2-thienyl}-1H-pyrazole has 1 hydrogen bond donor(s) and 6 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-{3,5-bisnitro-2-thienyl}-1H-pyrazole?
The CAS number of 5-{3,5-bisnitro-2-thienyl}-1H-pyrazole is 19933-28-9.
What is the molecular formula of 5-{3,5-bisnitro-2-thienyl}-1H-pyrazole?
The molecular formula of 5-{3,5-bisnitro-2-thienyl}-1H-pyrazole is C7H4N4O4S.
What is the molecular weight of 5-{3,5-bisnitro-2-thienyl}-1H-pyrazole?
The molecular weight of 5-{3,5-bisnitro-2-thienyl}-1H-pyrazole is 240.00 g/mol.
Where can I buy 5-{3,5-bisnitro-2-thienyl}-1H-pyrazole?
You can request a quote for 5-{3,5-bisnitro-2-thienyl}-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{3,5-bisnitro-2-thienyl}-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-{3,5-bisnitro-2-thienyl}-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.