![Methyl 2-{[(5-chloro-2-methoxyphenyl)carbamothioyl]amino}-4,5-dimethoxybenzoate structure](/static/products/7019/701970-58-3.webp)
Methyl 2-{[(5-chloro-2-methoxyphenyl)carbamothioyl]amino}-4,5-dimethoxybenzoate
TL;DR: Methyl 2-{[(5-chloro-2-methoxyphenyl)carbamothioyl]amino}-4,5-dimethoxybenzoate (CAS 701970-58-3) is a chemical compound with molecular formula C18H19ClN2O5S and molecular weight 410.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5-chloro-2-methoxyphenyl)carbamothioylamino]-4,5-dimethoxybenzoate
Also Known As: methyl 2-(3-(5-chloro-2-methoxyphenyl)thioureido)-4,5-dimethoxybenzoate, methyl 2-({[(5-chloro-2-methoxyphenyl)amino]carbonothioyl}amino)-4,5-dimethoxybenzoate, methyl 2-({[(5-chloro-2-methoxyphenyl)amino]thioxomethyl}amino)-4,5-dimethoxyb enzoate, methyl 2-[(5-chloro-2-methoxyphenyl)carbamothioylamino]-4,5-dimethoxybenzoate, methyl 2-{[(5-chloro-2-methoxyphenyl)carbamothioyl]amino}-4,5-dimethoxybenzoate
| Molecular Formula | C18H19ClN2O5S |
|---|---|
| Molecular Weight | 410.07 g/mol |
| LogP | 3.9613 |
| Topological Polar Surface Area | 78.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.0703 |
| Heavy Atoms | 27 |
| Complexity | 859.88586 |
Chemical Identifiers
| CAS Number | 701970-58-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)NC(=S)NC2=CC(=C(C=C2C(=O)OC)OC)OC |
Product Overview
Methyl 2-{[(5-chloro-2-methoxyphenyl)carbamothioyl]amino}-4,5-dimethoxybenzoate (CAS 701970-58-3), with molecular formula C18H19ClN2O5S and molecular weight 410.07 g/mol. IUPAC: methyl 2-[(5-chloro-2-methoxyphenyl)carbamothioylamino]-4,5-dimethoxybenzoate.
Chemical Property Profile of Methyl 2-{[(5-chloro-2-methoxyphenyl)carbamothioyl]amino}-4,5-dimethoxybenzoate
Property Insights of Methyl 2-{[(5-chloro-2-methoxyphenyl)carbamothioyl]amino}-4,5-dimethoxybenzoate
The XLogP value of 3.9613 indicates that Methyl 2-{[(5-chloro-2-methoxyphenyl)carbamothioyl]amino}-4,5-dimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.05 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{[(5-chloro-2-methoxyphenyl)carbamothioyl]amino}-4,5-dimethoxybenzoate. Following Lipinski's Rule of Five, Methyl 2-{[(5-chloro-2-methoxyphenyl)carbamothioyl]amino}-4,5-dimethoxybenzoate has 2 hydrogen bond donor(s) and 6 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-{[(5-chloro-2-methoxyphenyl)carbamothioyl]amino}-4,5-dimethoxybenzoate?
The CAS number of Methyl 2-{[(5-chloro-2-methoxyphenyl)carbamothioyl]amino}-4,5-dimethoxybenzoate is 701970-58-3.
What is the molecular formula of Methyl 2-{[(5-chloro-2-methoxyphenyl)carbamothioyl]amino}-4,5-dimethoxybenzoate?
The molecular formula of Methyl 2-{[(5-chloro-2-methoxyphenyl)carbamothioyl]amino}-4,5-dimethoxybenzoate is C18H19ClN2O5S.
What is the molecular weight of Methyl 2-{[(5-chloro-2-methoxyphenyl)carbamothioyl]amino}-4,5-dimethoxybenzoate?
The molecular weight of Methyl 2-{[(5-chloro-2-methoxyphenyl)carbamothioyl]amino}-4,5-dimethoxybenzoate is 410.07 g/mol.
Where can I buy Methyl 2-{[(5-chloro-2-methoxyphenyl)carbamothioyl]amino}-4,5-dimethoxybenzoate?
You can request a quote for Methyl 2-{[(5-chloro-2-methoxyphenyl)carbamothioyl]amino}-4,5-dimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-{[(5-chloro-2-methoxyphenyl)carbamothioyl]amino}-4,5-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[(5-chloro-2-methoxyphenyl)carbamothioyl]amino}-4,5-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.