RefChem:296028
TL;DR: RefChem:296028 (CAS 72732-39-9) is a chemical compound with molecular formula C17H13N3O4S2 and molecular weight 387.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
Also Known As: 4-Pyridinecarboxamide, N-(5-((4-hydroxy-3-methoxyphenyl)methylene)-4-oxo-2-thioxo-3-thiazolidinyl)-, N-[(5E)-5-[(4-HYDROXY-3-METHOXY-PHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-THIAZOLIDIN-3-YL]PYRIDINE-4-CARBOXAMIDE, N-[5-[ methylene]-4-oxo-2-thioxo-3-thiazolidinyl]-4-pyridinecarboxamide, N-[(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide, N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
| Molecular Formula | C17H13N3O4S2 |
|---|---|
| Molecular Weight | 387.03 g/mol |
| LogP | 2.342 |
| Topological Polar Surface Area | 91.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.03476 |
| Heavy Atoms | 26 |
| Complexity | 915.47894 |
Chemical Identifiers
| CAS Number | 72732-39-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3)O |
Product Overview
RefChem:296028 (CAS 72732-39-9), with molecular formula C17H13N3O4S2 and molecular weight 387.03 g/mol. IUPAC: N-[(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide.
Chemical Property Profile of RefChem:296028
Property Insights of RefChem:296028
The XLogP value of 2.342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:296028. The TPSA of 91.76 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:296028. Following Lipinski's Rule of Five, RefChem:296028 has 2 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:296028?
The CAS number of RefChem:296028 is 72732-39-9.
What is the molecular formula of RefChem:296028?
The molecular formula of RefChem:296028 is C17H13N3O4S2.
What is the molecular weight of RefChem:296028?
The molecular weight of RefChem:296028 is 387.03 g/mol.
Where can I buy RefChem:296028?
You can request a quote for RefChem:296028 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:296028?
Yes, KEHONG BIO provides custom synthesis services for RefChem:296028 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.