![2,2-dimethyl-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide structure](/static/products/4282/42826-28-8.webp)
2,2-dimethyl-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide
TL;DR: 2,2-dimethyl-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide (CAS 42826-28-8) is a chemical compound with molecular formula C10H13N3O3S and molecular weight 255.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide
Also Known As: 2,2-dimethyl-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide, 2,2-Dimethyl-N-[(5-nitrothiophen-2-yl)methylidene]propanehydrazonic acid
| Molecular Formula | C10H13N3O3S |
|---|---|
| Molecular Weight | 255.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.06776 |
| Heavy Atoms | 17 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 42826-28-8 |
|---|---|
| SMILES | CC(C)(C)C(=O)NN=CC1=CC=C(S1)[N+](=O)[O-] |
| InChIKey | PMCDCKNQBMQKKD-UHFFFAOYSA-N |
Product Overview
2,2-dimethyl-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide (CAS 42826-28-8), with molecular formula C10H13N3O3S and molecular weight 255.07 g/mol. IUPAC: 2,2-dimethyl-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide.
Chemical Property Profile of 2,2-dimethyl-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide
Property Insights of 2,2-dimethyl-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-dimethyl-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-dimethyl-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide. Following Lipinski's Rule of Five, 2,2-dimethyl-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide has 1 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 2,2-dimethyl-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide?
The CAS number of 2,2-dimethyl-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide is 42826-28-8.
What is the molecular formula of 2,2-dimethyl-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide?
The molecular formula of 2,2-dimethyl-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide is C10H13N3O3S.
What is the molecular weight of 2,2-dimethyl-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide?
The molecular weight of 2,2-dimethyl-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide is 255.07 g/mol.
Where can I buy 2,2-dimethyl-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide?
You can request a quote for 2,2-dimethyl-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-dimethyl-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide?
Yes, KEHONG BIO provides custom synthesis services for 2,2-dimethyl-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.