![N-[(5-methylisoxazol-3-yl)carbamothioyl]-3-phenyl-prop-2-enamide structure](/static/products/1025/1025614-69-0.webp)
N-[(5-methylisoxazol-3-yl)carbamothioyl]-3-phenyl-prop-2-enamide
TL;DR: N-[(5-methylisoxazol-3-yl)carbamothioyl]-3-phenyl-prop-2-enamide (CAS 1025614-69-0) is a chemical compound with molecular formula C14H13N3O2S and molecular weight 287.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-methyl-1,2-oxazol-3-yl)carbamothioyl]-3-phenylprop-2-enamide
Also Known As: N-(((5-METHYLISOXAZOL-3-YL)AMINO)THIOXOMETHYL)-3-PHENYLPROP-2-ENAMIDE, N-[(5-methylisoxazol-3-yl)carbamothioyl]-3-phenyl-prop-2-enamide, N-[(5-methyl-1,2-oxazol-3-yl)carbamothioyl]-3-phenylprop-2-enamide, N-[(5-methyl-1,2-oxazol-3-yl)thiocarbamoyl]-3-phenyl-prop-2-enamide
| Molecular Formula | C14H13N3O2S |
|---|---|
| Molecular Weight | 287.07 g/mol |
| LogP | 2.50942 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.07285 |
| Heavy Atoms | 20 |
| Complexity | 634.8784 |
Chemical Identifiers
| CAS Number | 1025614-69-0 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=S)NC(=O)C=CC2=CC=CC=C2 |
Product Overview
N-[(5-methylisoxazol-3-yl)carbamothioyl]-3-phenyl-prop-2-enamide (CAS 1025614-69-0), with molecular formula C14H13N3O2S and molecular weight 287.07 g/mol. IUPAC: N-[(5-methyl-1,2-oxazol-3-yl)carbamothioyl]-3-phenylprop-2-enamide.
Chemical Property Profile of N-[(5-methylisoxazol-3-yl)carbamothioyl]-3-phenyl-prop-2-enamide
Property Insights of N-[(5-methylisoxazol-3-yl)carbamothioyl]-3-phenyl-prop-2-enamide
The XLogP value of 2.50942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(5-methylisoxazol-3-yl)carbamothioyl]-3-phenyl-prop-2-enamide. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(5-methylisoxazol-3-yl)carbamothioyl]-3-phenyl-prop-2-enamide. Following Lipinski's Rule of Five, N-[(5-methylisoxazol-3-yl)carbamothioyl]-3-phenyl-prop-2-enamide 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-[(5-methylisoxazol-3-yl)carbamothioyl]-3-phenyl-prop-2-enamide?
The CAS number of N-[(5-methylisoxazol-3-yl)carbamothioyl]-3-phenyl-prop-2-enamide is 1025614-69-0.
What is the molecular formula of N-[(5-methylisoxazol-3-yl)carbamothioyl]-3-phenyl-prop-2-enamide?
The molecular formula of N-[(5-methylisoxazol-3-yl)carbamothioyl]-3-phenyl-prop-2-enamide is C14H13N3O2S.
What is the molecular weight of N-[(5-methylisoxazol-3-yl)carbamothioyl]-3-phenyl-prop-2-enamide?
The molecular weight of N-[(5-methylisoxazol-3-yl)carbamothioyl]-3-phenyl-prop-2-enamide is 287.07 g/mol.
Where can I buy N-[(5-methylisoxazol-3-yl)carbamothioyl]-3-phenyl-prop-2-enamide?
You can request a quote for N-[(5-methylisoxazol-3-yl)carbamothioyl]-3-phenyl-prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(5-methylisoxazol-3-yl)carbamothioyl]-3-phenyl-prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(5-methylisoxazol-3-yl)carbamothioyl]-3-phenyl-prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.