4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-fluorobenzoate
TL;DR: 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-fluorobenzoate (CAS 477731-08-1) is a chemical compound with molecular formula C17H16FN3O2S and molecular weight 345.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate
Also Known As: 4-(2-((ETHYLAMINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2-FLUOROBENZOATE, [4-[(ethylthiocarbamoylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate, 647-511-0, RefChem:511374
| Molecular Formula | C17H16FN3O2S |
|---|---|
| Molecular Weight | 345.09 g/mol |
| LogP | 2.8628 |
| Topological Polar Surface Area | 62.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.09473 |
| Heavy Atoms | 24 |
| Complexity | 747.7558 |
Chemical Identifiers
| CAS Number | 477731-08-1 |
|---|---|
| SMILES | CCNC(=S)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2F |
Product Overview
4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-fluorobenzoate (CAS 477731-08-1), with molecular formula C17H16FN3O2S and molecular weight 345.09 g/mol. IUPAC: [4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate.
Chemical Property Profile of 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-fluorobenzoate
Property Insights of 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-fluorobenzoate
The XLogP value of 2.8628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-fluorobenzoate. The TPSA of 62.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-fluorobenzoate. Following Lipinski's Rule of Five, 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-fluorobenzoate has 2 hydrogen bond donor(s) and 4 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 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-fluorobenzoate?
The CAS number of 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-fluorobenzoate is 477731-08-1.
What is the molecular formula of 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-fluorobenzoate?
The molecular formula of 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-fluorobenzoate is C17H16FN3O2S.
What is the molecular weight of 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-fluorobenzoate?
The molecular weight of 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-fluorobenzoate is 345.09 g/mol.
Where can I buy 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-fluorobenzoate?
You can request a quote for 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.