![Methyl 2-[4-[2-(4-methoxyphenyl)ethylcarbamothioylamino]phenyl]acetate structure](/static/products/5164/516457-16-2.webp)
Methyl 2-[4-[2-(4-methoxyphenyl)ethylcarbamothioylamino]phenyl]acetate
TL;DR: Methyl 2-[4-[2-(4-methoxyphenyl)ethylcarbamothioylamino]phenyl]acetate (CAS 516457-16-2) is a chemical compound with molecular formula C19H22N2O3S and molecular weight 358.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[2-(4-methoxyphenyl)ethylcarbamothioylamino]phenyl]acetate
Also Known As: AJ-292/42034711, methyl 2-[4-[2-(4-methoxyphenyl)ethylcarbamothioylamino]phenyl]acetate, methyl [4-({[2-(4-methoxyphenyl)ethyl]carbamothioyl}amino)phenyl]acetate, methyl 2-(4-(3-(4-methoxyphenethyl)thioureido)phenyl)acetate, methyl {4-[({[2-(4-methoxyphenyl)ethyl]amino}carbothioyl)amino]phenyl}acetate
| Molecular Formula | C19H22N2O3S |
|---|---|
| Molecular Weight | 358.14 g/mol |
| LogP | 2.9398 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 358.1351 |
| Heavy Atoms | 25 |
| Complexity | 699.6141 |
Chemical Identifiers
| CAS Number | 516457-16-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)CC(=O)OC |
Product Overview
Methyl 2-[4-[2-(4-methoxyphenyl)ethylcarbamothioylamino]phenyl]acetate (CAS 516457-16-2), with molecular formula C19H22N2O3S and molecular weight 358.14 g/mol. IUPAC: methyl 2-[4-[2-(4-methoxyphenyl)ethylcarbamothioylamino]phenyl]acetate.
Chemical Property Profile of Methyl 2-[4-[2-(4-methoxyphenyl)ethylcarbamothioylamino]phenyl]acetate
Property Insights of Methyl 2-[4-[2-(4-methoxyphenyl)ethylcarbamothioylamino]phenyl]acetate
The XLogP value of 2.9398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[4-[2-(4-methoxyphenyl)ethylcarbamothioylamino]phenyl]acetate. With a topological polar surface area (TPSA) of 59.59 Ų, Methyl 2-[4-[2-(4-methoxyphenyl)ethylcarbamothioylamino]phenyl]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-[4-[2-(4-methoxyphenyl)ethylcarbamothioylamino]phenyl]acetate 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 Methyl 2-[4-[2-(4-methoxyphenyl)ethylcarbamothioylamino]phenyl]acetate?
The CAS number of Methyl 2-[4-[2-(4-methoxyphenyl)ethylcarbamothioylamino]phenyl]acetate is 516457-16-2.
What is the molecular formula of Methyl 2-[4-[2-(4-methoxyphenyl)ethylcarbamothioylamino]phenyl]acetate?
The molecular formula of Methyl 2-[4-[2-(4-methoxyphenyl)ethylcarbamothioylamino]phenyl]acetate is C19H22N2O3S.
What is the molecular weight of Methyl 2-[4-[2-(4-methoxyphenyl)ethylcarbamothioylamino]phenyl]acetate?
The molecular weight of Methyl 2-[4-[2-(4-methoxyphenyl)ethylcarbamothioylamino]phenyl]acetate is 358.14 g/mol.
Where can I buy Methyl 2-[4-[2-(4-methoxyphenyl)ethylcarbamothioylamino]phenyl]acetate?
You can request a quote for Methyl 2-[4-[2-(4-methoxyphenyl)ethylcarbamothioylamino]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 2-[4-[2-(4-methoxyphenyl)ethylcarbamothioylamino]phenyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[4-[2-(4-methoxyphenyl)ethylcarbamothioylamino]phenyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.