![Methyl (4-{[(2,2-dimethoxyethyl)carbamothioyl]amino}phenyl)acetate structure](/static/products/5164/516458-64-3.webp)
Methyl (4-{[(2,2-dimethoxyethyl)carbamothioyl]amino}phenyl)acetate
TL;DR: Methyl (4-{[(2,2-dimethoxyethyl)carbamothioyl]amino}phenyl)acetate (CAS 516458-64-3) is a chemical compound with molecular formula C14H20N2O4S and molecular weight 312.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(2,2-dimethoxyethylcarbamothioylamino)phenyl]acetate
Also Known As: methyl (4-{[(2,2-dimethoxyethyl)carbamothioyl]amino}phenyl)acetate, methyl 2-(4-(3-(2,2-dimethoxyethyl)thioureido)phenyl)acetate, methyl 2-[4-(2,2-dimethoxyethylcarbamothioylamino)phenyl]acetate, methyl 2-[4-({[(2,2-dimethoxyethyl)amino]thioxomethyl}amino)phenyl]acetate
| Molecular Formula | C14H20N2O4S |
|---|---|
| Molecular Weight | 312.11 g/mol |
| LogP | 1.3074 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 312.11438 |
| Heavy Atoms | 21 |
| Complexity | 460.54675 |
Chemical Identifiers
| CAS Number | 516458-64-3 |
|---|---|
| SMILES | COC(CNC(=S)NC1=CC=C(C=C1)CC(=O)OC)OC |
Product Overview
Methyl (4-{[(2,2-dimethoxyethyl)carbamothioyl]amino}phenyl)acetate (CAS 516458-64-3), with molecular formula C14H20N2O4S and molecular weight 312.11 g/mol. IUPAC: methyl 2-[4-(2,2-dimethoxyethylcarbamothioylamino)phenyl]acetate.
Chemical Property Profile of Methyl (4-{[(2,2-dimethoxyethyl)carbamothioyl]amino}phenyl)acetate
Property Insights of Methyl (4-{[(2,2-dimethoxyethyl)carbamothioyl]amino}phenyl)acetate
The XLogP value of 1.3074 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (4-{[(2,2-dimethoxyethyl)carbamothioyl]amino}phenyl)acetate. The TPSA of 68.82 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (4-{[(2,2-dimethoxyethyl)carbamothioyl]amino}phenyl)acetate. Following Lipinski's Rule of Five, Methyl (4-{[(2,2-dimethoxyethyl)carbamothioyl]amino}phenyl)acetate has 2 hydrogen bond donor(s) and 5 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-{[(2,2-dimethoxyethyl)carbamothioyl]amino}phenyl)acetate?
The CAS number of Methyl (4-{[(2,2-dimethoxyethyl)carbamothioyl]amino}phenyl)acetate is 516458-64-3.
What is the molecular formula of Methyl (4-{[(2,2-dimethoxyethyl)carbamothioyl]amino}phenyl)acetate?
The molecular formula of Methyl (4-{[(2,2-dimethoxyethyl)carbamothioyl]amino}phenyl)acetate is C14H20N2O4S.
What is the molecular weight of Methyl (4-{[(2,2-dimethoxyethyl)carbamothioyl]amino}phenyl)acetate?
The molecular weight of Methyl (4-{[(2,2-dimethoxyethyl)carbamothioyl]amino}phenyl)acetate is 312.11 g/mol.
Where can I buy Methyl (4-{[(2,2-dimethoxyethyl)carbamothioyl]amino}phenyl)acetate?
You can request a quote for Methyl (4-{[(2,2-dimethoxyethyl)carbamothioyl]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-{[(2,2-dimethoxyethyl)carbamothioyl]amino}phenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (4-{[(2,2-dimethoxyethyl)carbamothioyl]amino}phenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.