RefChem:315255
TL;DR: RefChem:315255 (CAS 160518-40-1) is a chemical compound with molecular formula C13H15ClN4O4S and molecular weight 358.05026 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetyl]-2-nitrophenyl]acetamide;hydrochloride
Also Known As: Acetamide, N-(4-(((4,5-dihydro-1H-imidazol-2-yl)thio)acetyl)-2-nitrophenyl)-, monohydrochloride, Acetanilide, 4'-((2-imidazolin-2-ylthio)acetyl)-2'-nitro-, monohydrochloride, N-(4-(2-((4,5-Dihydro-1H-imidazol-2-yl)thio)acetyl)-2-nitrophenyl)acetamide hydrochloride, N-(4-{[(4,5-Dihydro-1H-imidazol-2-yl)sulfanyl]acetyl}-2-nitrophenyl)acetamide--hydrogen chloride (1/1), N-[4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetyl]-2-nitrophenyl]acetamide hydrochloride
Technical Specifications
| Molecular Formula | C13H15ClN4O4S |
| Molecular Weight | 358.05026 g/mol |
| XLogP | 1.8501 |
| Topological Polar Surface Area (TPSA) | 142.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.05026 Da |
| Heavy Atoms | 23 |
| Complexity | 491.0 |
| SMILES | CC(=O)NC1=C(C=C(C=C1)C(=O)CSC2=NCCN2)[N+](=O)[O-].Cl |
| InChIKey | NXZYEKIURKHDOU-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:315255
Property Insights of RefChem:315255
The XLogP value of 1.8501 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:315255. The TPSA of 142.0 Ų indicates high polarity, suggesting RefChem:315255 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:315255 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:315255?
The CAS number of RefChem:315255 is 160518-40-1.
What is the molecular formula of RefChem:315255?
The molecular formula of RefChem:315255 is C13H15ClN4O4S.
What is the molecular weight of RefChem:315255?
The molecular weight of RefChem:315255 is 358.05026 g/mol.
Where can I buy RefChem:315255?
You can request a quote for RefChem:315255 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:315255?
Yes, CoreyChem provides custom synthesis services for RefChem:315255 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.