N-(3,5-dinitrothiophen-2-yl)acetamide
TL;DR: N-(3,5-dinitrothiophen-2-yl)acetamide (CAS 51249-08-2) is a chemical compound with molecular formula C6H5N3O5S and molecular weight 231.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-dinitrothiophen-2-yl)acetamide
Also Known As: N-(3,5-dinitrothiophen-2-yl)acetamide, 2-acetamido-3,5-dinitrothiophene, 2-Acetylamino-3,5-dinitro-thiophen, N-(3,5-Dinitrothiophene-2-yl)acetamide, J1.452.229H
| Molecular Formula | C6H5N3O5S |
|---|---|
| Molecular Weight | 231.00 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.995 |
| Heavy Atoms | 15 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 51249-08-2 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(S1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | YIKSUWUCPDHMSU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(3,5-dinitrothiophen-2-yl)acetamide (CAS 51249-08-2), with molecular formula C6H5N3O5S and molecular weight 231.00 g/mol. IUPAC: N-(3,5-dinitrothiophen-2-yl)acetamide.
Chemical Property Profile of N-(3,5-dinitrothiophen-2-yl)acetamide
Property Insights of N-(3,5-dinitrothiophen-2-yl)acetamide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,5-dinitrothiophen-2-yl)acetamide. The TPSA of 149.0 Ų indicates high polarity, suggesting N-(3,5-dinitrothiophen-2-yl)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(3,5-dinitrothiophen-2-yl)acetamide 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 N-(3,5-dinitrothiophen-2-yl)acetamide?
The CAS number of N-(3,5-dinitrothiophen-2-yl)acetamide is 51249-08-2.
What is the molecular formula of N-(3,5-dinitrothiophen-2-yl)acetamide?
The molecular formula of N-(3,5-dinitrothiophen-2-yl)acetamide is C6H5N3O5S.
What is the molecular weight of N-(3,5-dinitrothiophen-2-yl)acetamide?
The molecular weight of N-(3,5-dinitrothiophen-2-yl)acetamide is 231.00 g/mol.
Where can I buy N-(3,5-dinitrothiophen-2-yl)acetamide?
You can request a quote for N-(3,5-dinitrothiophen-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,5-dinitrothiophen-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,5-dinitrothiophen-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.