S-(4-Acetyl-3-hydroxy-2-propylphenyl) dimethylcarbamothioate
TL;DR: S-(4-Acetyl-3-hydroxy-2-propylphenyl) dimethylcarbamothioate (CAS 74891-63-7) is a chemical compound with molecular formula C14H19NO3S and molecular weight 281.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-acetyl-3-hydroxy-2-propylphenyl) N,N-dimethylcarbamothioate
Also Known As: Maybridge1_002040, S-(4-Acetyl-3-hydroxy-2-propylphenyl) dimethylcarbamothioate, (4-(N,N-dimethylcarbamoylthio)-2-hydroxy-3-propylphenyl)ethanone, S-(4-acetyl-3-hydroxy-2-propylphenyl) N,N-dimethylcarbamothioate, dimethyl-thiocarbamic acid S-(4-acetyl-3-hydroxy-2-propyl-phenyl) ester
| Molecular Formula | C14H19NO3S |
|---|---|
| Molecular Weight | 281.11 g/mol |
| LogP | 3.321 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.10855 |
| Heavy Atoms | 19 |
| Complexity | 497.7096 |
Chemical Identifiers
| CAS Number | 74891-63-7 |
|---|---|
| SMILES | CCCC1=C(C=CC(=C1O)C(=O)C)SC(=O)N(C)C |
Product Overview
S-(4-Acetyl-3-hydroxy-2-propylphenyl) dimethylcarbamothioate (CAS 74891-63-7), with molecular formula C14H19NO3S and molecular weight 281.11 g/mol. IUPAC: S-(4-acetyl-3-hydroxy-2-propylphenyl) N,N-dimethylcarbamothioate.
Chemical Property Profile of S-(4-Acetyl-3-hydroxy-2-propylphenyl) dimethylcarbamothioate
Property Insights of S-(4-Acetyl-3-hydroxy-2-propylphenyl) dimethylcarbamothioate
The XLogP value of 3.321 indicates that S-(4-Acetyl-3-hydroxy-2-propylphenyl) dimethylcarbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, S-(4-Acetyl-3-hydroxy-2-propylphenyl) dimethylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(4-Acetyl-3-hydroxy-2-propylphenyl) dimethylcarbamothioate has 1 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 S-(4-Acetyl-3-hydroxy-2-propylphenyl) dimethylcarbamothioate?
The CAS number of S-(4-Acetyl-3-hydroxy-2-propylphenyl) dimethylcarbamothioate is 74891-63-7.
What is the molecular formula of S-(4-Acetyl-3-hydroxy-2-propylphenyl) dimethylcarbamothioate?
The molecular formula of S-(4-Acetyl-3-hydroxy-2-propylphenyl) dimethylcarbamothioate is C14H19NO3S.
What is the molecular weight of S-(4-Acetyl-3-hydroxy-2-propylphenyl) dimethylcarbamothioate?
The molecular weight of S-(4-Acetyl-3-hydroxy-2-propylphenyl) dimethylcarbamothioate is 281.11 g/mol.
Where can I buy S-(4-Acetyl-3-hydroxy-2-propylphenyl) dimethylcarbamothioate?
You can request a quote for S-(4-Acetyl-3-hydroxy-2-propylphenyl) dimethylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4-Acetyl-3-hydroxy-2-propylphenyl) dimethylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-Acetyl-3-hydroxy-2-propylphenyl) dimethylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.