4-{5-Nitro-2-thienyl}pyrimidine
TL;DR: 4-{5-Nitro-2-thienyl}pyrimidine (CAS 17808-14-9) is a chemical compound with molecular formula C8H5N3O2S and molecular weight 207.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-nitrothiophen-2-yl)pyrimidine
Also Known As: 4-{5-nitro-2-thienyl}pyrimidine, 4-(5-nitrothiophen-2-yl)pyrimidine, AI-942/13331112
| Molecular Formula | C8H5N3O2S |
|---|---|
| Molecular Weight | 207.01 g/mol |
| LogP | 2.1133 |
| Topological Polar Surface Area | 68.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.01025 |
| Heavy Atoms | 14 |
| Complexity | 454.61978 |
Chemical Identifiers
| CAS Number | 17808-14-9 |
|---|---|
| SMILES | C1=CN=CN=C1C2=CC=C(S2)[N+](=O)[O-] |
Product Overview
4-{5-Nitro-2-thienyl}pyrimidine (CAS 17808-14-9), with molecular formula C8H5N3O2S and molecular weight 207.01 g/mol. IUPAC: 4-(5-nitrothiophen-2-yl)pyrimidine.
Chemical Property Profile of 4-{5-Nitro-2-thienyl}pyrimidine
Property Insights of 4-{5-Nitro-2-thienyl}pyrimidine
The XLogP value of 2.1133 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{5-Nitro-2-thienyl}pyrimidine. The TPSA of 68.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{5-Nitro-2-thienyl}pyrimidine. Following Lipinski's Rule of Five, 4-{5-Nitro-2-thienyl}pyrimidine has 0 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 4-{5-Nitro-2-thienyl}pyrimidine?
The CAS number of 4-{5-Nitro-2-thienyl}pyrimidine is 17808-14-9.
What is the molecular formula of 4-{5-Nitro-2-thienyl}pyrimidine?
The molecular formula of 4-{5-Nitro-2-thienyl}pyrimidine is C8H5N3O2S.
What is the molecular weight of 4-{5-Nitro-2-thienyl}pyrimidine?
The molecular weight of 4-{5-Nitro-2-thienyl}pyrimidine is 207.01 g/mol.
Where can I buy 4-{5-Nitro-2-thienyl}pyrimidine?
You can request a quote for 4-{5-Nitro-2-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-{5-Nitro-2-thienyl}pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-{5-Nitro-2-thienyl}pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.