![N-(3-chloro-4-fluorophenyl)-2-[(2-furylmethyl)amino]-2-thioxoacetamide structure](/static/products/3290/329078-84-4.webp)
N-(3-chloro-4-fluorophenyl)-2-[(2-furylmethyl)amino]-2-thioxoacetamide
TL;DR: N-(3-chloro-4-fluorophenyl)-2-[(2-furylmethyl)amino]-2-thioxoacetamide (CAS 329078-84-4) is a chemical compound with molecular formula C13H10ClFN2O2S and molecular weight 312.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-fluorophenyl)-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide
Also Known As: N-(3-chloro-4-fluorophenyl)-2-[(2-furylmethyl)amino]-2-thioxoacetamide, AA-768/30961040, N-(3-chloro-4-fluorophenyl)-1-{[(furan-2-yl)methyl]carbamothioyl}formamide, N-(3-chloro-4-fluorophenyl)-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide, N-(3-CHLORO-4-FLUOROPHENYL)-1-[(FURAN-2-YLMETHYL)CARBAMOTHIOYL]FORMAMIDE
| Molecular Formula | C13H10ClFN2O2S |
|---|---|
| Molecular Weight | 312.01 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 86.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.01355 |
| Heavy Atoms | 20 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 329078-84-4 |
|---|---|
| SMILES | C1=COC(=C1)CNC(=S)C(=O)NC2=CC(=C(C=C2)F)Cl |
| InChIKey | XTPIZABMHIBQCA-UHFFFAOYSA-N |
Product Overview
N-(3-chloro-4-fluorophenyl)-2-[(2-furylmethyl)amino]-2-thioxoacetamide (CAS 329078-84-4), with molecular formula C13H10ClFN2O2S and molecular weight 312.01 g/mol. IUPAC: N-(3-chloro-4-fluorophenyl)-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide.
Chemical Property Profile of N-(3-chloro-4-fluorophenyl)-2-[(2-furylmethyl)amino]-2-thioxoacetamide
Property Insights of N-(3-chloro-4-fluorophenyl)-2-[(2-furylmethyl)amino]-2-thioxoacetamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-chloro-4-fluorophenyl)-2-[(2-furylmethyl)amino]-2-thioxoacetamide. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-chloro-4-fluorophenyl)-2-[(2-furylmethyl)amino]-2-thioxoacetamide. Following Lipinski's Rule of Five, N-(3-chloro-4-fluorophenyl)-2-[(2-furylmethyl)amino]-2-thioxoacetamide 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 N-(3-chloro-4-fluorophenyl)-2-[(2-furylmethyl)amino]-2-thioxoacetamide?
The CAS number of N-(3-chloro-4-fluorophenyl)-2-[(2-furylmethyl)amino]-2-thioxoacetamide is 329078-84-4.
What is the molecular formula of N-(3-chloro-4-fluorophenyl)-2-[(2-furylmethyl)amino]-2-thioxoacetamide?
The molecular formula of N-(3-chloro-4-fluorophenyl)-2-[(2-furylmethyl)amino]-2-thioxoacetamide is C13H10ClFN2O2S.
What is the molecular weight of N-(3-chloro-4-fluorophenyl)-2-[(2-furylmethyl)amino]-2-thioxoacetamide?
The molecular weight of N-(3-chloro-4-fluorophenyl)-2-[(2-furylmethyl)amino]-2-thioxoacetamide is 312.01 g/mol.
Where can I buy N-(3-chloro-4-fluorophenyl)-2-[(2-furylmethyl)amino]-2-thioxoacetamide?
You can request a quote for N-(3-chloro-4-fluorophenyl)-2-[(2-furylmethyl)amino]-2-thioxoacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chloro-4-fluorophenyl)-2-[(2-furylmethyl)amino]-2-thioxoacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4-fluorophenyl)-2-[(2-furylmethyl)amino]-2-thioxoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.