ethyl 4-(2-(2-(pyridin-3-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)benzoate
TL;DR: ethyl 4-(2-(2-(pyridin-3-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)benzoate (CAS 706768-58-3) is a chemical compound with molecular formula C25H21N5O3S and molecular weight 471.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(2-pyridin-3-ylquinoline-4-carbonyl)amino]carbamothioylamino]benzoate
Also Known As: ethyl 4-(2-(2-(pyridin-3-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)benzoate, ethyl 4-[({[(2-(3-pyridyl)(4-quinolyl))carbonylamino]amino}thioxomethyl)amino] benzoate, ethyl 4-[[(2-pyridin-3-ylquinoline-4-carbonyl)amino]carbamothioylamino]benzoate, ethyl 4-{[(2-{[2-(pyridin-3-yl)quinolin-4-yl]carbonyl}hydrazinyl)carbonothioyl]amino}benzoate
| Molecular Formula | C25H21N5O3S |
|---|---|
| Molecular Weight | 471.14 g/mol |
| LogP | 4.1049 |
| Topological Polar Surface Area | 105.24 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 471.1365 |
| Heavy Atoms | 34 |
| Complexity | 1344.0334 |
Chemical Identifiers
| CAS Number | 706768-58-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4 |
Product Overview
ethyl 4-(2-(2-(pyridin-3-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)benzoate (CAS 706768-58-3), with molecular formula C25H21N5O3S and molecular weight 471.14 g/mol. IUPAC: ethyl 4-[[(2-pyridin-3-ylquinoline-4-carbonyl)amino]carbamothioylamino]benzoate.
Chemical Property Profile of ethyl 4-(2-(2-(pyridin-3-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)benzoate
Property Insights of ethyl 4-(2-(2-(pyridin-3-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)benzoate
The XLogP value of 4.1049 indicates that ethyl 4-(2-(2-(pyridin-3-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.24 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(2-(2-(pyridin-3-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)benzoate. Following Lipinski's Rule of Five, ethyl 4-(2-(2-(pyridin-3-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)benzoate has 3 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 ethyl 4-(2-(2-(pyridin-3-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)benzoate?
The CAS number of ethyl 4-(2-(2-(pyridin-3-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)benzoate is 706768-58-3.
What is the molecular formula of ethyl 4-(2-(2-(pyridin-3-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)benzoate?
The molecular formula of ethyl 4-(2-(2-(pyridin-3-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)benzoate is C25H21N5O3S.
What is the molecular weight of ethyl 4-(2-(2-(pyridin-3-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)benzoate?
The molecular weight of ethyl 4-(2-(2-(pyridin-3-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)benzoate is 471.14 g/mol.
Where can I buy ethyl 4-(2-(2-(pyridin-3-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)benzoate?
You can request a quote for ethyl 4-(2-(2-(pyridin-3-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(2-(2-(pyridin-3-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2-(2-(pyridin-3-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.