RefChem:1068846
TL;DR: RefChem:1068846 (CAS 145865-85-6) is a chemical compound with molecular formula C14H11N3O4S2 and molecular weight 349.0191 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[[(E)-(4-cyanophenyl)methylideneamino]sulfamoyl]thiophene-3-carboxylate
Also Known As: Methyl 4-((((4-cyanophenyl)methylene)hydrazino)sulfonyl)-3-thiophenecarboxylate, 3-Thiophenecarboxylic acid, 4-((((4-cyanophenyl)methylene)hydrazino)sulfonyl)-, methyl ester, 4-[[2-(4-Cyanobenzylidene)hydrazino]sulfonyl]thiophene-3-carboxylic acid methyl ester, methyl 4-{N'-[(4-cyanophenyl)methylidene]hydrazinesulfonyl}thiophene-3-carboxylate
Technical Specifications
| Molecular Formula | C14H11N3O4S2 |
| Molecular Weight | 349.0191 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 145.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.0191 Da |
| Heavy Atoms | 23 |
| Complexity | 597.0 |
| SMILES | COC(=O)C1=CSC=C1S(=O)(=O)N/N=C/C2=CC=C(C=C2)C#N |
| InChIKey | XIVLZYBBLHTQAO-FRKPEAEDSA-N |
Chemical Property Profile of RefChem:1068846
Property Insights of RefChem:1068846
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1068846. The TPSA of 145.0 Ų indicates high polarity, suggesting RefChem:1068846 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1068846 has 1 hydrogen bond donor(s) and 8 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:1068846?
The CAS number of RefChem:1068846 is 145865-85-6.
What is the molecular formula of RefChem:1068846?
The molecular formula of RefChem:1068846 is C14H11N3O4S2.
What is the molecular weight of RefChem:1068846?
The molecular weight of RefChem:1068846 is 349.0191 g/mol.
Where can I buy RefChem:1068846?
You can request a quote for RefChem:1068846 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1068846?
Yes, CoreyChem provides custom synthesis services for RefChem:1068846 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.