RefChem:1071518
TL;DR: RefChem:1071518 (CAS 68711-00-2) is a chemical compound with molecular formula C16H10N4O4S2 and molecular weight 386.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5Z)-5-[(2-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
Also Known As: N-(5-((2-Nitrophenyl)methylene)-4-oxo-2-thioxo-3-thiazolidinyl)-4-pyridinecarboxamide, 4-Pyridinecarboxamide, N-(5-((2-nitrophenyl)methylene)-4-oxo-2-thioxo-3-thiazolidinyl)-, N-[5-[ methylene]-4-oxo-2-thioxo-3-thiazolidinyl]-4-pyridinecarboxamide, N-[5-[(2-Nitrophenyl)methylene]-4-oxo-2-thioxo-3-thiazolidinyl]-4-pyridinecarboxamide, N-[(5Z)-5-[(2-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
| Molecular Formula | C16H10N4O4S2 |
|---|---|
| Molecular Weight | 386.01 g/mol |
| LogP | 2.536 |
| Topological Polar Surface Area | 105.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.01434 |
| Heavy Atoms | 26 |
| Complexity | 946.27576 |
Chemical Identifiers
| CAS Number | 68711-00-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3)[N+](=O)[O-] |
Product Overview
RefChem:1071518 (CAS 68711-00-2), with molecular formula C16H10N4O4S2 and molecular weight 386.01 g/mol. IUPAC: N-[(5Z)-5-[(2-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide.
Chemical Property Profile of RefChem:1071518
Property Insights of RefChem:1071518
The XLogP value of 2.536 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1071518. The TPSA of 105.44 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1071518. Following Lipinski's Rule of Five, RefChem:1071518 has 1 hydrogen bond donor(s) and 7 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 RefChem:1071518?
The CAS number of RefChem:1071518 is 68711-00-2.
What is the molecular formula of RefChem:1071518?
The molecular formula of RefChem:1071518 is C16H10N4O4S2.
What is the molecular weight of RefChem:1071518?
The molecular weight of RefChem:1071518 is 386.01 g/mol.
Where can I buy RefChem:1071518?
You can request a quote for RefChem:1071518 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071518?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071518 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.