2-Jod-3-nitrothiophen
TL;DR: 2-Jod-3-nitrothiophen (CAS 578000-28-9) is a chemical compound with molecular formula C26H20N4O5S and molecular weight 500.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide
Also Known As: 2-Jod-3-nitrothiophen, 2-{[5-(2-Furyl)-4-(2-furylmethyl)-4H-1,2,4-triazol-3-yl]sulf, Acetamide,2-[[5- -4- -4H-1,2,4-triazol-3-yl]thio]-N- -, Acetamide, 2-[[5-(2-furanyl)-4-(2-furanylmethyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-3-dibenzofuranyl)- (9CI), ACETAMIDE,2-[[5-(FURAN-2-YL)-4-(FURAN-2-YLMETHYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-N-(2-METHOXY-3-DIBENZOFURANYL)-
| Molecular Formula | C26H20N4O5S |
|---|---|
| Molecular Weight | 500.12 g/mol |
| LogP | 5.8182 |
| Topological Polar Surface Area | 108.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 500.11545 |
| Heavy Atoms | 36 |
| Complexity | 1651.0071 |
Chemical Identifiers
| CAS Number | 578000-28-9 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)CSC4=NN=C(N4CC5=CC=CO5)C6=CC=CO6 |
Product Overview
2-Jod-3-nitrothiophen (CAS 578000-28-9), with molecular formula C26H20N4O5S and molecular weight 500.12 g/mol. IUPAC: 2-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide.
Chemical Property Profile of 2-Jod-3-nitrothiophen
Property Insights of 2-Jod-3-nitrothiophen
The XLogP value of 5.8182 indicates that 2-Jod-3-nitrothiophen is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Jod-3-nitrothiophen. Following Lipinski's Rule of Five, 2-Jod-3-nitrothiophen has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Jod-3-nitrothiophen?
The CAS number of 2-Jod-3-nitrothiophen is 578000-28-9.
What is the molecular formula of 2-Jod-3-nitrothiophen?
The molecular formula of 2-Jod-3-nitrothiophen is C26H20N4O5S.
What is the molecular weight of 2-Jod-3-nitrothiophen?
The molecular weight of 2-Jod-3-nitrothiophen is 500.12 g/mol.
Where can I buy 2-Jod-3-nitrothiophen?
You can request a quote for 2-Jod-3-nitrothiophen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Jod-3-nitrothiophen?
Yes, KEHONG BIO provides custom synthesis services for 2-Jod-3-nitrothiophen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.