RefChem:1071521
TL;DR: RefChem:1071521 (CAS 68710-96-3) is a chemical compound with molecular formula C18H14N4O3S2 and molecular weight 398.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5E)-5-[(4-acetamidophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
Also Known As: 4-Pyridinecarboxamide, N-(5-((4-(acetylamino)phenyl)methylene)-4-oxo-2-thioxo-3-thiazolidinyl)-, N-[5-[4-(Acetylamino)benzylidene]-4-oxo-2-thioxothiazolidin-3-yl]-4-pyridinecarboxamide, N-[(5E)-5-[(4-acetamidophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide, N-{5-[(4-acetamidophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}pyridine-4-carboxamide, RefChem:1071521
| Molecular Formula | C18H14N4O3S2 |
|---|---|
| Molecular Weight | 398.05 g/mol |
| LogP | 2.5862 |
| Topological Polar Surface Area | 91.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.05072 |
| Heavy Atoms | 27 |
| Complexity | 942.8389 |
Chemical Identifiers
| CAS Number | 68710-96-3 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3 |
Product Overview
RefChem:1071521 (CAS 68710-96-3), with molecular formula C18H14N4O3S2 and molecular weight 398.05 g/mol. IUPAC: N-[(5E)-5-[(4-acetamidophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide.
Chemical Property Profile of RefChem:1071521
Property Insights of RefChem:1071521
The XLogP value of 2.5862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1071521. The TPSA of 91.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1071521. Following Lipinski's Rule of Five, RefChem:1071521 has 2 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 RefChem:1071521?
The CAS number of RefChem:1071521 is 68710-96-3.
What is the molecular formula of RefChem:1071521?
The molecular formula of RefChem:1071521 is C18H14N4O3S2.
What is the molecular weight of RefChem:1071521?
The molecular weight of RefChem:1071521 is 398.05 g/mol.
Where can I buy RefChem:1071521?
You can request a quote for RefChem:1071521 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071521?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071521 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.