BRD-K85332611-001-04-3
TL;DR: BRD-K85332611-001-04-3 (CAS 848992-60-9) 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-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-3-carboxamide
Also Known As: BRD-K85332611-001-04-3, N-[(5Z)-5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide, (Z)-N-(5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)nicotinamide, N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-3-carboxamide, N-{5-[(4-hydroxy-3-methoxyphenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-y l)}-3-pyridylcarboxamide
| 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 | 848992-60-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CN=CC=C3)O |
Product Overview
BRD-K85332611-001-04-3 (CAS 848992-60-9), with molecular formula C17H13N3O4S2 and molecular weight 387.03 g/mol. IUPAC: N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-3-carboxamide.
Chemical Property Profile of BRD-K85332611-001-04-3
Property Insights of BRD-K85332611-001-04-3
The XLogP value of 2.342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRD-K85332611-001-04-3. The TPSA of 91.76 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-K85332611-001-04-3. Following Lipinski's Rule of Five, BRD-K85332611-001-04-3 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 BRD-K85332611-001-04-3?
The CAS number of BRD-K85332611-001-04-3 is 848992-60-9.
What is the molecular formula of BRD-K85332611-001-04-3?
The molecular formula of BRD-K85332611-001-04-3 is C17H13N3O4S2.
What is the molecular weight of BRD-K85332611-001-04-3?
The molecular weight of BRD-K85332611-001-04-3 is 387.03 g/mol.
Where can I buy BRD-K85332611-001-04-3?
You can request a quote for BRD-K85332611-001-04-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K85332611-001-04-3?
Yes, KEHONG BIO provides custom synthesis services for BRD-K85332611-001-04-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.