4-{2,5-Bisnitro-3-thienyl}pyrimidine
TL;DR: 4-{2,5-Bisnitro-3-thienyl}pyrimidine (CAS 19084-34-5) is a chemical compound with molecular formula C8H4N4O4S and molecular weight 252.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5-dinitrothiophen-3-yl)pyrimidine
Also Known As: 4-{2,5-bisnitro-3-thienyl}pyrimidine, 4-(2,5-dinitrothiophen-3-yl)pyrimidine, AI-942/13331085
| Molecular Formula | C8H4N4O4S |
|---|---|
| Molecular Weight | 252.00 g/mol |
| LogP | 2.0215 |
| Topological Polar Surface Area | 112.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.99533 |
| Heavy Atoms | 17 |
| Complexity | 582.46606 |
Chemical Identifiers
| CAS Number | 19084-34-5 |
|---|---|
| SMILES | C1=CN=CN=C1C2=C(SC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
4-{2,5-Bisnitro-3-thienyl}pyrimidine (CAS 19084-34-5), with molecular formula C8H4N4O4S and molecular weight 252.00 g/mol. IUPAC: 4-(2,5-dinitrothiophen-3-yl)pyrimidine.
Chemical Property Profile of 4-{2,5-Bisnitro-3-thienyl}pyrimidine
Property Insights of 4-{2,5-Bisnitro-3-thienyl}pyrimidine
The XLogP value of 2.0215 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{2,5-Bisnitro-3-thienyl}pyrimidine. The TPSA of 112.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{2,5-Bisnitro-3-thienyl}pyrimidine. Following Lipinski's Rule of Five, 4-{2,5-Bisnitro-3-thienyl}pyrimidine 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 4-{2,5-Bisnitro-3-thienyl}pyrimidine?
The CAS number of 4-{2,5-Bisnitro-3-thienyl}pyrimidine is 19084-34-5.
What is the molecular formula of 4-{2,5-Bisnitro-3-thienyl}pyrimidine?
The molecular formula of 4-{2,5-Bisnitro-3-thienyl}pyrimidine is C8H4N4O4S.
What is the molecular weight of 4-{2,5-Bisnitro-3-thienyl}pyrimidine?
The molecular weight of 4-{2,5-Bisnitro-3-thienyl}pyrimidine is 252.00 g/mol.
Where can I buy 4-{2,5-Bisnitro-3-thienyl}pyrimidine?
You can request a quote for 4-{2,5-Bisnitro-3-thienyl}pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{2,5-Bisnitro-3-thienyl}pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-{2,5-Bisnitro-3-thienyl}pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.