![1-(Prop-2-enylcarbamothioylamino)-3-[4-(trifluoromethoxy)phenyl]urea structure](/static/products/1024/1024113-58-3.webp)
1-(Prop-2-enylcarbamothioylamino)-3-[4-(trifluoromethoxy)phenyl]urea
TL;DR: 1-(Prop-2-enylcarbamothioylamino)-3-[4-(trifluoromethoxy)phenyl]urea (CAS 1024113-58-3) is a chemical compound with molecular formula C12H13F3N4O2S and molecular weight 334.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(prop-2-enylcarbamothioylamino)-3-[4-(trifluoromethoxy)phenyl]urea
Also Known As: 1-(prop-2-enylcarbamothioylamino)-3-[4-(trifluoromethoxy)phenyl]urea, (2-((PROP-2-ENYLAMINO)THIOXOMETHYL)HYDRAZINO)-N-(4-(TRIFLUOROMETHOXY)PHENYL)FORMAMIDE, 1-(allylcarbamothioylamino)-3-[4-(trifluoromethoxy)phenyl]urea, 3-(prop-2-enylthiocarbamoylamino)-1-[4-(trifluoromethoxy)phenyl]urea, 3-{[(prop-2-en-1-yl)carbamothioyl]amino}-1-[4-(trifluoromethoxy)phenyl]urea
| Molecular Formula | C12H13F3N4O2S |
|---|---|
| Molecular Weight | 334.07 g/mol |
| LogP | 2.2718 |
| Topological Polar Surface Area | 74.42 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.07114 |
| Heavy Atoms | 22 |
| Complexity | 534.1681 |
Chemical Identifiers
| CAS Number | 1024113-58-3 |
|---|---|
| SMILES | C=CCNC(=S)NNC(=O)NC1=CC=C(C=C1)OC(F)(F)F |
Product Overview
1-(Prop-2-enylcarbamothioylamino)-3-[4-(trifluoromethoxy)phenyl]urea (CAS 1024113-58-3), with molecular formula C12H13F3N4O2S and molecular weight 334.07 g/mol. IUPAC: 1-(prop-2-enylcarbamothioylamino)-3-[4-(trifluoromethoxy)phenyl]urea.
Chemical Property Profile of 1-(Prop-2-enylcarbamothioylamino)-3-[4-(trifluoromethoxy)phenyl]urea
Property Insights of 1-(Prop-2-enylcarbamothioylamino)-3-[4-(trifluoromethoxy)phenyl]urea
The XLogP value of 2.2718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Prop-2-enylcarbamothioylamino)-3-[4-(trifluoromethoxy)phenyl]urea. The TPSA of 74.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Prop-2-enylcarbamothioylamino)-3-[4-(trifluoromethoxy)phenyl]urea. Following Lipinski's Rule of Five, 1-(Prop-2-enylcarbamothioylamino)-3-[4-(trifluoromethoxy)phenyl]urea has 4 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-(Prop-2-enylcarbamothioylamino)-3-[4-(trifluoromethoxy)phenyl]urea?
The CAS number of 1-(Prop-2-enylcarbamothioylamino)-3-[4-(trifluoromethoxy)phenyl]urea is 1024113-58-3.
What is the molecular formula of 1-(Prop-2-enylcarbamothioylamino)-3-[4-(trifluoromethoxy)phenyl]urea?
The molecular formula of 1-(Prop-2-enylcarbamothioylamino)-3-[4-(trifluoromethoxy)phenyl]urea is C12H13F3N4O2S.
What is the molecular weight of 1-(Prop-2-enylcarbamothioylamino)-3-[4-(trifluoromethoxy)phenyl]urea?
The molecular weight of 1-(Prop-2-enylcarbamothioylamino)-3-[4-(trifluoromethoxy)phenyl]urea is 334.07 g/mol.
Where can I buy 1-(Prop-2-enylcarbamothioylamino)-3-[4-(trifluoromethoxy)phenyl]urea?
You can request a quote for 1-(Prop-2-enylcarbamothioylamino)-3-[4-(trifluoromethoxy)phenyl]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Prop-2-enylcarbamothioylamino)-3-[4-(trifluoromethoxy)phenyl]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(Prop-2-enylcarbamothioylamino)-3-[4-(trifluoromethoxy)phenyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.