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Methyl {4-[(tert-butylcarbamothioyl)amino]phenyl}acetate
TL;DR: Methyl {4-[(tert-butylcarbamothioyl)amino]phenyl}acetate (CAS 708991-47-3) is a chemical compound with molecular formula C14H20N2O2S and molecular weight 280.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(tert-butylcarbamothioylamino)phenyl]acetate
Also Known As: methyl {4-[(tert-butylcarbamothioyl)amino]phenyl}acetate, methyl 2-(4-(3-(tert-butyl)thioureido)phenyl)acetate, methyl 2-[4-(tert-butylcarbamothioylamino)phenyl]acetate, methyl (4-{[(tert-butylamino)carbonothioyl]amino}phenyl)acetate
| Molecular Formula | C14H20N2O2S |
|---|---|
| Molecular Weight | 280.12 g/mol |
| LogP | 2.487 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.12454 |
| Heavy Atoms | 19 |
| Complexity | 449.5089 |
Chemical Identifiers
| CAS Number | 708991-47-3 |
|---|---|
| SMILES | CC(C)(C)NC(=S)NC1=CC=C(C=C1)CC(=O)OC |
Product Overview
Methyl {4-[(tert-butylcarbamothioyl)amino]phenyl}acetate (CAS 708991-47-3), with molecular formula C14H20N2O2S and molecular weight 280.12 g/mol. IUPAC: methyl 2-[4-(tert-butylcarbamothioylamino)phenyl]acetate.
Chemical Property Profile of Methyl {4-[(tert-butylcarbamothioyl)amino]phenyl}acetate
Property Insights of Methyl {4-[(tert-butylcarbamothioyl)amino]phenyl}acetate
The XLogP value of 2.487 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl {4-[(tert-butylcarbamothioyl)amino]phenyl}acetate. With a topological polar surface area (TPSA) of 50.36 Ų, Methyl {4-[(tert-butylcarbamothioyl)amino]phenyl}acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl {4-[(tert-butylcarbamothioyl)amino]phenyl}acetate has 2 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 Methyl {4-[(tert-butylcarbamothioyl)amino]phenyl}acetate?
The CAS number of Methyl {4-[(tert-butylcarbamothioyl)amino]phenyl}acetate is 708991-47-3.
What is the molecular formula of Methyl {4-[(tert-butylcarbamothioyl)amino]phenyl}acetate?
The molecular formula of Methyl {4-[(tert-butylcarbamothioyl)amino]phenyl}acetate is C14H20N2O2S.
What is the molecular weight of Methyl {4-[(tert-butylcarbamothioyl)amino]phenyl}acetate?
The molecular weight of Methyl {4-[(tert-butylcarbamothioyl)amino]phenyl}acetate is 280.12 g/mol.
Where can I buy Methyl {4-[(tert-butylcarbamothioyl)amino]phenyl}acetate?
You can request a quote for Methyl {4-[(tert-butylcarbamothioyl)amino]phenyl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl {4-[(tert-butylcarbamothioyl)amino]phenyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl {4-[(tert-butylcarbamothioyl)amino]phenyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.