1-(Thiophenecarbonyl)-4-(4-trifluoromethylphenyl)semicarbazide
TL;DR: 1-(Thiophenecarbonyl)-4-(4-trifluoromethylphenyl)semicarbazide (CAS 1024196-52-8) is a chemical compound with molecular formula C13H10F3N3O2S and molecular weight 329.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(thiophene-2-carbonylamino)-3-[4-(trifluoromethyl)phenyl]urea
Also Known As: 1-(THIOPHENECARBONYL)-4-(4-TRIFLUOROMETHYLPHENYL)SEMICARBAZIDE, 1-(thiophene-2-carbonylamino)-3-[4-(trifluoromethyl)phenyl]urea, 3-(thiophene-2-carbonylamino)-1-[4-(trifluoromethyl)phenyl]urea, N-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)thiophene-2-carboxamide
| Molecular Formula | C13H10F3N3O2S |
|---|---|
| Molecular Weight | 329.04 g/mol |
| LogP | 3.2334 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.0446 |
| Heavy Atoms | 22 |
| Complexity | 654.16986 |
Chemical Identifiers
| CAS Number | 1024196-52-8 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)NNC(=O)NC2=CC=C(C=C2)C(F)(F)F |
Product Overview
1-(Thiophenecarbonyl)-4-(4-trifluoromethylphenyl)semicarbazide (CAS 1024196-52-8), with molecular formula C13H10F3N3O2S and molecular weight 329.04 g/mol. IUPAC: 1-(thiophene-2-carbonylamino)-3-[4-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of 1-(Thiophenecarbonyl)-4-(4-trifluoromethylphenyl)semicarbazide
Property Insights of 1-(Thiophenecarbonyl)-4-(4-trifluoromethylphenyl)semicarbazide
The XLogP value of 3.2334 indicates that 1-(Thiophenecarbonyl)-4-(4-trifluoromethylphenyl)semicarbazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Thiophenecarbonyl)-4-(4-trifluoromethylphenyl)semicarbazide. Following Lipinski's Rule of Five, 1-(Thiophenecarbonyl)-4-(4-trifluoromethylphenyl)semicarbazide has 3 hydrogen bond donor(s) and 3 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 1-(Thiophenecarbonyl)-4-(4-trifluoromethylphenyl)semicarbazide?
The CAS number of 1-(Thiophenecarbonyl)-4-(4-trifluoromethylphenyl)semicarbazide is 1024196-52-8.
What is the molecular formula of 1-(Thiophenecarbonyl)-4-(4-trifluoromethylphenyl)semicarbazide?
The molecular formula of 1-(Thiophenecarbonyl)-4-(4-trifluoromethylphenyl)semicarbazide is C13H10F3N3O2S.
What is the molecular weight of 1-(Thiophenecarbonyl)-4-(4-trifluoromethylphenyl)semicarbazide?
The molecular weight of 1-(Thiophenecarbonyl)-4-(4-trifluoromethylphenyl)semicarbazide is 329.04 g/mol.
Where can I buy 1-(Thiophenecarbonyl)-4-(4-trifluoromethylphenyl)semicarbazide?
You can request a quote for 1-(Thiophenecarbonyl)-4-(4-trifluoromethylphenyl)semicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Thiophenecarbonyl)-4-(4-trifluoromethylphenyl)semicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 1-(Thiophenecarbonyl)-4-(4-trifluoromethylphenyl)semicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.