![methyl [4-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate structure](/static/products/5164/516457-55-9.webp)
methyl [4-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate
TL;DR: methyl [4-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate (CAS 516457-55-9) is a chemical compound with molecular formula C20H21N3O2S and molecular weight 367.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[2-(1H-indol-3-yl)ethylcarbamothioylamino]phenyl]acetate
Also Known As: methyl 2-(4-(3-(2-(1H-indol-3-yl)ethyl)thioureido)phenyl)acetate, methyl [4-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate, methyl 2-[4-[2-(1H-indol-3-yl)ethylcarbamothioylamino]phenyl]acetate, METHYL 2-[4-({[2-(1H-INDOL-3-YL)ETHYL]CARBAMOTHIOYL}AMINO)PHENYL]ACETATE
| Molecular Formula | C20H21N3O2S |
|---|---|
| Molecular Weight | 367.14 g/mol |
| LogP | 3.4125 |
| Topological Polar Surface Area | 66.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 367.13544 |
| Heavy Atoms | 26 |
| Complexity | 902.8201 |
Chemical Identifiers
| CAS Number | 516457-55-9 |
|---|---|
| SMILES | COC(=O)CC1=CC=C(C=C1)NC(=S)NCCC2=CNC3=CC=CC=C32 |
Product Overview
methyl [4-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate (CAS 516457-55-9), with molecular formula C20H21N3O2S and molecular weight 367.14 g/mol. IUPAC: methyl 2-[4-[2-(1H-indol-3-yl)ethylcarbamothioylamino]phenyl]acetate.
Chemical Property Profile of methyl [4-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate
Property Insights of methyl [4-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate
The XLogP value of 3.4125 indicates that methyl [4-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.15 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl [4-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate. Following Lipinski's Rule of Five, methyl [4-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate has 3 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-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate?
The CAS number of methyl [4-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate is 516457-55-9.
What is the molecular formula of methyl [4-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate?
The molecular formula of methyl [4-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate is C20H21N3O2S.
What is the molecular weight of methyl [4-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate?
The molecular weight of methyl [4-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate is 367.14 g/mol.
Where can I buy methyl [4-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate?
You can request a quote for methyl [4-({[2-(1H-indol-3-yl)ethyl]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-(1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl [4-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.