![methyl [4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate structure](/static/products/831/831199-37-2.png)
methyl [4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate
TL;DR: methyl [4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate (CAS 831199-37-2) is a chemical compound with molecular formula C21H23N3O3S and molecular weight 397.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamothioylamino]phenyl]acetate
Also Known As: methyl [4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate, methyl 2-(4-(3-(2-(5-methoxy-1H-indol-3-yl)ethyl)thioureido)phenyl)acetate, methyl 2-[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamothioylamino]phenyl]acetate, methyl 2-{4-[({[2-(5-methoxyindol-3-yl)ethyl]amino}thioxomethyl)amino]phenyl}a cetate
| Molecular Formula | C21H23N3O3S |
|---|---|
| Molecular Weight | 397.15 g/mol |
| LogP | 3.4211 |
| Topological Polar Surface Area | 75.38 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.14603 |
| Heavy Atoms | 28 |
| Complexity | 966.69116 |
Chemical Identifiers
| CAS Number | 831199-37-2 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC=C2CCNC(=S)NC3=CC=C(C=C3)CC(=O)OC |
Product Overview
methyl [4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate (CAS 831199-37-2), with molecular formula C21H23N3O3S and molecular weight 397.15 g/mol. IUPAC: methyl 2-[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamothioylamino]phenyl]acetate.
Chemical Property Profile of methyl [4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate
Property Insights of methyl [4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate
The XLogP value of 3.4211 indicates that methyl [4-({[2-(5-methoxy-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 75.38 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl [4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate. Following Lipinski's Rule of Five, methyl [4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate has 3 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 [4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate?
The CAS number of methyl [4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate is 831199-37-2.
What is the molecular formula of methyl [4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate?
The molecular formula of methyl [4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate is C21H23N3O3S.
What is the molecular weight of methyl [4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate?
The molecular weight of methyl [4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate is 397.15 g/mol.
Where can I buy methyl [4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate?
You can request a quote for methyl [4-({[2-(5-methoxy-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-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl [4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)phenyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.