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(E)-N-[(2,5-dimethylphenyl)carbamothioyl]-3-phenylprop-2-enamide
TL;DR: (E)-N-[(2,5-dimethylphenyl)carbamothioyl]-3-phenylprop-2-enamide (CAS 425400-83-5) is a chemical compound with molecular formula C18H18N2OS and molecular weight 310.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[(2,5-dimethylphenyl)carbamothioyl]-3-phenylprop-2-enamide
Also Known As: (2E)-N-[(2,5-dimethylphenyl)carbamothioyl]-3-phenylprop-2-enamide, (E)-N-[(2,5-dimethylphenyl)carbamothioyl]-3-phenylprop-2-enamide
| Molecular Formula | C18H18N2OS |
|---|---|
| Molecular Weight | 310.11 g/mol |
| LogP | 3.82984 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.11398 |
| Heavy Atoms | 22 |
| Complexity | 708.28204 |
Chemical Identifiers
| CAS Number | 425400-83-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC(=S)NC(=O)/C=C/C2=CC=CC=C2 |
Product Overview
(E)-N-[(2,5-dimethylphenyl)carbamothioyl]-3-phenylprop-2-enamide (CAS 425400-83-5), with molecular formula C18H18N2OS and molecular weight 310.11 g/mol. IUPAC: (E)-N-[(2,5-dimethylphenyl)carbamothioyl]-3-phenylprop-2-enamide.
Chemical Property Profile of (E)-N-[(2,5-dimethylphenyl)carbamothioyl]-3-phenylprop-2-enamide
Property Insights of (E)-N-[(2,5-dimethylphenyl)carbamothioyl]-3-phenylprop-2-enamide
The XLogP value of 3.82984 indicates that (E)-N-[(2,5-dimethylphenyl)carbamothioyl]-3-phenylprop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, (E)-N-[(2,5-dimethylphenyl)carbamothioyl]-3-phenylprop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-N-[(2,5-dimethylphenyl)carbamothioyl]-3-phenylprop-2-enamide has 2 hydrogen bond donor(s) and 2 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 (E)-N-[(2,5-dimethylphenyl)carbamothioyl]-3-phenylprop-2-enamide?
The CAS number of (E)-N-[(2,5-dimethylphenyl)carbamothioyl]-3-phenylprop-2-enamide is 425400-83-5.
What is the molecular formula of (E)-N-[(2,5-dimethylphenyl)carbamothioyl]-3-phenylprop-2-enamide?
The molecular formula of (E)-N-[(2,5-dimethylphenyl)carbamothioyl]-3-phenylprop-2-enamide is C18H18N2OS.
What is the molecular weight of (E)-N-[(2,5-dimethylphenyl)carbamothioyl]-3-phenylprop-2-enamide?
The molecular weight of (E)-N-[(2,5-dimethylphenyl)carbamothioyl]-3-phenylprop-2-enamide is 310.11 g/mol.
Where can I buy (E)-N-[(2,5-dimethylphenyl)carbamothioyl]-3-phenylprop-2-enamide?
You can request a quote for (E)-N-[(2,5-dimethylphenyl)carbamothioyl]-3-phenylprop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-[(2,5-dimethylphenyl)carbamothioyl]-3-phenylprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-[(2,5-dimethylphenyl)carbamothioyl]-3-phenylprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.