3,5-dinitro-N-(thiophen-2-ylmethyl)benzamide
TL;DR: 3,5-dinitro-N-(thiophen-2-ylmethyl)benzamide (CAS 445253-71-4) is a chemical compound with molecular formula C12H9N3O5S and molecular weight 307.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dinitro-N-(thiophen-2-ylmethyl)benzamide
Also Known As: 3,5-dinitro-N-(thiophen-2-ylmethyl)benzamide, 3,5-bisnitro-N-(2-thienylmethyl)benzamide, (3,5-dinitrophenyl)-N-(2-thienylmethyl)carboxamide, 3,5-DINITRO-N~1~-(2-THIENYLMETHYL)BENZAMIDE
| Molecular Formula | C12H9N3O5S |
|---|---|
| Molecular Weight | 307.03 g/mol |
| LogP | 2.4945 |
| Topological Polar Surface Area | 115.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.0263 |
| Heavy Atoms | 21 |
| Complexity | 666.6734 |
Chemical Identifiers
| CAS Number | 445253-71-4 |
|---|---|
| SMILES | C1=CSC(=C1)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
3,5-dinitro-N-(thiophen-2-ylmethyl)benzamide (CAS 445253-71-4), with molecular formula C12H9N3O5S and molecular weight 307.03 g/mol. IUPAC: 3,5-dinitro-N-(thiophen-2-ylmethyl)benzamide.
Chemical Property Profile of 3,5-dinitro-N-(thiophen-2-ylmethyl)benzamide
Property Insights of 3,5-dinitro-N-(thiophen-2-ylmethyl)benzamide
The XLogP value of 2.4945 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-dinitro-N-(thiophen-2-ylmethyl)benzamide. The TPSA of 115.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-dinitro-N-(thiophen-2-ylmethyl)benzamide. Following Lipinski's Rule of Five, 3,5-dinitro-N-(thiophen-2-ylmethyl)benzamide 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 3,5-dinitro-N-(thiophen-2-ylmethyl)benzamide?
The CAS number of 3,5-dinitro-N-(thiophen-2-ylmethyl)benzamide is 445253-71-4.
What is the molecular formula of 3,5-dinitro-N-(thiophen-2-ylmethyl)benzamide?
The molecular formula of 3,5-dinitro-N-(thiophen-2-ylmethyl)benzamide is C12H9N3O5S.
What is the molecular weight of 3,5-dinitro-N-(thiophen-2-ylmethyl)benzamide?
The molecular weight of 3,5-dinitro-N-(thiophen-2-ylmethyl)benzamide is 307.03 g/mol.
Where can I buy 3,5-dinitro-N-(thiophen-2-ylmethyl)benzamide?
You can request a quote for 3,5-dinitro-N-(thiophen-2-ylmethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-dinitro-N-(thiophen-2-ylmethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dinitro-N-(thiophen-2-ylmethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.