3-(4-fluorophenyl)-N-((4-methoxyphenyl)carbamothioyl)acrylamide
TL;DR: 3-(4-fluorophenyl)-N-((4-methoxyphenyl)carbamothioyl)acrylamide (CAS 412963-92-9) is a chemical compound with molecular formula C17H15FN2O2S and molecular weight 330.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)-N-[(4-methoxyphenyl)carbamothioyl]prop-2-enamide
Also Known As: 3-(4-fluorophenyl)-N-((4-methoxyphenyl)carbamothioyl)acrylamide, 3-(4-fluorophenyl)-N-[(4-methoxyphenyl)carbamothioyl]prop-2-enamide
| Molecular Formula | C17H15FN2O2S |
|---|---|
| Molecular Weight | 330.08 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.08383 |
| Heavy Atoms | 23 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 412963-92-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)F |
| InChIKey | PNERYTLJRTTWHV-UHFFFAOYSA-N |
Product Overview
3-(4-fluorophenyl)-N-((4-methoxyphenyl)carbamothioyl)acrylamide (CAS 412963-92-9), with molecular formula C17H15FN2O2S and molecular weight 330.08 g/mol. IUPAC: 3-(4-fluorophenyl)-N-[(4-methoxyphenyl)carbamothioyl]prop-2-enamide.
Chemical Property Profile of 3-(4-fluorophenyl)-N-((4-methoxyphenyl)carbamothioyl)acrylamide
Property Insights of 3-(4-fluorophenyl)-N-((4-methoxyphenyl)carbamothioyl)acrylamide
The XLogP value of 4.0 indicates that 3-(4-fluorophenyl)-N-((4-methoxyphenyl)carbamothioyl)acrylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-fluorophenyl)-N-((4-methoxyphenyl)carbamothioyl)acrylamide. Following Lipinski's Rule of Five, 3-(4-fluorophenyl)-N-((4-methoxyphenyl)carbamothioyl)acrylamide 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 3-(4-fluorophenyl)-N-((4-methoxyphenyl)carbamothioyl)acrylamide?
The CAS number of 3-(4-fluorophenyl)-N-((4-methoxyphenyl)carbamothioyl)acrylamide is 412963-92-9.
What is the molecular formula of 3-(4-fluorophenyl)-N-((4-methoxyphenyl)carbamothioyl)acrylamide?
The molecular formula of 3-(4-fluorophenyl)-N-((4-methoxyphenyl)carbamothioyl)acrylamide is C17H15FN2O2S.
What is the molecular weight of 3-(4-fluorophenyl)-N-((4-methoxyphenyl)carbamothioyl)acrylamide?
The molecular weight of 3-(4-fluorophenyl)-N-((4-methoxyphenyl)carbamothioyl)acrylamide is 330.08 g/mol.
Where can I buy 3-(4-fluorophenyl)-N-((4-methoxyphenyl)carbamothioyl)acrylamide?
You can request a quote for 3-(4-fluorophenyl)-N-((4-methoxyphenyl)carbamothioyl)acrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-fluorophenyl)-N-((4-methoxyphenyl)carbamothioyl)acrylamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-fluorophenyl)-N-((4-methoxyphenyl)carbamothioyl)acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.