BAS 00534457
TL;DR: BAS 00534457 (CAS 1164502-50-4) is a chemical compound with molecular formula C19H16N4O3S2 and molecular weight 412.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[3-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]pyridine-3-carbohydrazide
Also Known As: BAS 00534457, Nicotinic acid N'-[3-(5-benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl)-propionyl]-hydrazide, (Z)-N'-(3-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)nicotinohydrazide, N''-[3-[(5Z)-5-benzal-4-keto-2-thioxo-thiazolidin-3-yl]propanoyl]nicotinohydrazide, N''-[1-oxo-3-[(5Z)-4-oxo-5-(phenylmethylene)-2-sulfanylidene-3-thiazolidinyl]propyl]-3-pyridinecarbohydrazide
| Molecular Formula | C19H16N4O3S2 |
|---|---|
| Molecular Weight | 412.07 g/mol |
| LogP | 2.1341 |
| Topological Polar Surface Area | 91.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.06638 |
| Heavy Atoms | 28 |
| Complexity | 932.70966 |
Chemical Identifiers
| CAS Number | 1164502-50-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NNC(=O)C3=CN=CC=C3 |
Product Overview
BAS 00534457 (CAS 1164502-50-4), with molecular formula C19H16N4O3S2 and molecular weight 412.07 g/mol. IUPAC: N'-[3-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]pyridine-3-carbohydrazide.
Chemical Property Profile of BAS 00534457
Property Insights of BAS 00534457
The XLogP value of 2.1341 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00534457. The TPSA of 91.4 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00534457. Following Lipinski's Rule of Five, BAS 00534457 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 BAS 00534457?
The CAS number of BAS 00534457 is 1164502-50-4.
What is the molecular formula of BAS 00534457?
The molecular formula of BAS 00534457 is C19H16N4O3S2.
What is the molecular weight of BAS 00534457?
The molecular weight of BAS 00534457 is 412.07 g/mol.
Where can I buy BAS 00534457?
You can request a quote for BAS 00534457 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00534457?
Yes, KEHONG BIO provides custom synthesis services for BAS 00534457 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.