N-(4-fluorophenyl)-2-(phenoxyacetyl)hydrazinecarbothioamide
TL;DR: N-(4-fluorophenyl)-2-(phenoxyacetyl)hydrazinecarbothioamide (CAS 314766-52-4) is a chemical compound with molecular formula C15H14FN3O2S and molecular weight 319.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-3-[(2-phenoxyacetyl)amino]thiourea
Also Known As: Arsonium,bromotrimethyl-,bromide, BAS 01176023, N-(4-fluorophenyl)-2-(phenoxyacetyl)hydrazinecarbothioamide, 1-(4-fluorophenyl)-3-[(2-phenoxyacetyl)amino]thiourea, AN-329/40396910
| Molecular Formula | C15H14FN3O2S |
|---|---|
| Molecular Weight | 319.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 94.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.07907 |
| Heavy Atoms | 22 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 314766-52-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC(=O)NNC(=S)NC2=CC=C(C=C2)F |
| InChIKey | CIVYBFFCFSPPIM-UHFFFAOYSA-N |
Product Overview
N-(4-fluorophenyl)-2-(phenoxyacetyl)hydrazinecarbothioamide (CAS 314766-52-4), with molecular formula C15H14FN3O2S and molecular weight 319.08 g/mol. IUPAC: 1-(4-fluorophenyl)-3-[(2-phenoxyacetyl)amino]thiourea.
Chemical Property Profile of N-(4-fluorophenyl)-2-(phenoxyacetyl)hydrazinecarbothioamide
Property Insights of N-(4-fluorophenyl)-2-(phenoxyacetyl)hydrazinecarbothioamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-fluorophenyl)-2-(phenoxyacetyl)hydrazinecarbothioamide. The TPSA of 94.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-fluorophenyl)-2-(phenoxyacetyl)hydrazinecarbothioamide. Following Lipinski's Rule of Five, N-(4-fluorophenyl)-2-(phenoxyacetyl)hydrazinecarbothioamide has 3 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 N-(4-fluorophenyl)-2-(phenoxyacetyl)hydrazinecarbothioamide?
The CAS number of N-(4-fluorophenyl)-2-(phenoxyacetyl)hydrazinecarbothioamide is 314766-52-4.
What is the molecular formula of N-(4-fluorophenyl)-2-(phenoxyacetyl)hydrazinecarbothioamide?
The molecular formula of N-(4-fluorophenyl)-2-(phenoxyacetyl)hydrazinecarbothioamide is C15H14FN3O2S.
What is the molecular weight of N-(4-fluorophenyl)-2-(phenoxyacetyl)hydrazinecarbothioamide?
The molecular weight of N-(4-fluorophenyl)-2-(phenoxyacetyl)hydrazinecarbothioamide is 319.08 g/mol.
Where can I buy N-(4-fluorophenyl)-2-(phenoxyacetyl)hydrazinecarbothioamide?
You can request a quote for N-(4-fluorophenyl)-2-(phenoxyacetyl)hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-fluorophenyl)-2-(phenoxyacetyl)hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-fluorophenyl)-2-(phenoxyacetyl)hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.