![methyl 3-chloro-6-({[4-(morpholin-4-ylcarbonyl)phenyl]carbamothioyl}amino)-1-benzothiophene-2-carboxylate structure](/static/products/7019/701971-80-4.webp)
methyl 3-chloro-6-({[4-(morpholin-4-ylcarbonyl)phenyl]carbamothioyl}amino)-1-benzothiophene-2-carboxylate
TL;DR: methyl 3-chloro-6-({[4-(morpholin-4-ylcarbonyl)phenyl]carbamothioyl}amino)-1-benzothiophene-2-carboxylate (CAS 701971-80-4) is a chemical compound with molecular formula C22H20ClN3O4S2 and molecular weight 489.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-chloro-6-[[4-(morpholine-4-carbonyl)phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate
Also Known As: methyl 3-chloro-6-({[4-(morpholin-4-ylcarbonyl)phenyl]carbamothioyl}amino)-1-benzothiophene-2-carboxylate, methyl 3-chloro-6-(3-(4-(morpholine-4-carbonyl)phenyl)thioureido)benzo[b]thiophene-2-carboxylate, methyl 3-chloro-6-[({[4-(morpholin-4-ylcarbonyl)phenyl]amino}thioxomethyl)amin o]benzo[b]thiophene-2-carboxylate, methyl 3-chloro-6-[[4-(morpholine-4-carbonyl)phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate
| Molecular Formula | C22H20ClN3O4S2 |
|---|---|
| Molecular Weight | 489.06 g/mol |
| LogP | 4.6226 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 489.05838 |
| Heavy Atoms | 32 |
| Complexity | 1173.8827 |
Chemical Identifiers
| CAS Number | 701971-80-4 |
|---|---|
| SMILES | COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=C(C=C3)C(=O)N4CCOCC4)Cl |
Product Overview
methyl 3-chloro-6-({[4-(morpholin-4-ylcarbonyl)phenyl]carbamothioyl}amino)-1-benzothiophene-2-carboxylate (CAS 701971-80-4), with molecular formula C22H20ClN3O4S2 and molecular weight 489.06 g/mol. IUPAC: methyl 3-chloro-6-[[4-(morpholine-4-carbonyl)phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate.
Chemical Property Profile of methyl 3-chloro-6-({[4-(morpholin-4-ylcarbonyl)phenyl]carbamothioyl}amino)-1-benzothiophene-2-carboxylate
Property Insights of methyl 3-chloro-6-({[4-(morpholin-4-ylcarbonyl)phenyl]carbamothioyl}amino)-1-benzothiophene-2-carboxylate
The XLogP value of 4.6226 indicates that methyl 3-chloro-6-({[4-(morpholin-4-ylcarbonyl)phenyl]carbamothioyl}amino)-1-benzothiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-chloro-6-({[4-(morpholin-4-ylcarbonyl)phenyl]carbamothioyl}amino)-1-benzothiophene-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-chloro-6-({[4-(morpholin-4-ylcarbonyl)phenyl]carbamothioyl}amino)-1-benzothiophene-2-carboxylate 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 3-chloro-6-({[4-(morpholin-4-ylcarbonyl)phenyl]carbamothioyl}amino)-1-benzothiophene-2-carboxylate?
The CAS number of methyl 3-chloro-6-({[4-(morpholin-4-ylcarbonyl)phenyl]carbamothioyl}amino)-1-benzothiophene-2-carboxylate is 701971-80-4.
What is the molecular formula of methyl 3-chloro-6-({[4-(morpholin-4-ylcarbonyl)phenyl]carbamothioyl}amino)-1-benzothiophene-2-carboxylate?
The molecular formula of methyl 3-chloro-6-({[4-(morpholin-4-ylcarbonyl)phenyl]carbamothioyl}amino)-1-benzothiophene-2-carboxylate is C22H20ClN3O4S2.
What is the molecular weight of methyl 3-chloro-6-({[4-(morpholin-4-ylcarbonyl)phenyl]carbamothioyl}amino)-1-benzothiophene-2-carboxylate?
The molecular weight of methyl 3-chloro-6-({[4-(morpholin-4-ylcarbonyl)phenyl]carbamothioyl}amino)-1-benzothiophene-2-carboxylate is 489.06 g/mol.
Where can I buy methyl 3-chloro-6-({[4-(morpholin-4-ylcarbonyl)phenyl]carbamothioyl}amino)-1-benzothiophene-2-carboxylate?
You can request a quote for methyl 3-chloro-6-({[4-(morpholin-4-ylcarbonyl)phenyl]carbamothioyl}amino)-1-benzothiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-chloro-6-({[4-(morpholin-4-ylcarbonyl)phenyl]carbamothioyl}amino)-1-benzothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-chloro-6-({[4-(morpholin-4-ylcarbonyl)phenyl]carbamothioyl}amino)-1-benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.