![methyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoate structure](/static/products/642/642983-72-0.png)
methyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoate
TL;DR: methyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoate (CAS 642983-72-0) is a chemical compound with molecular formula C19H15ClN2O4S2 and molecular weight 434.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoate
Also Known As: methyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoate, Methyl 4-[(3-chloro-6-methoxy-benzothiophene-2-carbonyl)thiocarbamoylamino]benzoate
| Molecular Formula | C19H15ClN2O4S2 |
|---|---|
| Molecular Weight | 434.02 g/mol |
| LogP | 4.4767 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.01617 |
| Heavy Atoms | 28 |
| Complexity | 1063.731 |
Chemical Identifiers
| CAS Number | 642983-72-0 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=C(C=C3)C(=O)OC)Cl |
Product Overview
methyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoate (CAS 642983-72-0), with molecular formula C19H15ClN2O4S2 and molecular weight 434.02 g/mol. IUPAC: methyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoate.
Chemical Property Profile of methyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoate
Property Insights of methyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoate
The XLogP value of 4.4767 indicates that methyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoate. Following Lipinski's Rule of Five, methyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoate 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 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoate?
The CAS number of methyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoate is 642983-72-0.
What is the molecular formula of methyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoate?
The molecular formula of methyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoate is C19H15ClN2O4S2.
What is the molecular weight of methyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoate?
The molecular weight of methyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoate is 434.02 g/mol.
Where can I buy methyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoate?
You can request a quote for methyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.