![methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/7019/701941-90-4.webp)
methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 701941-90-4) is a chemical compound with molecular formula C19H19ClF2N2O3S2 and molecular weight 460.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-chloro-4-(difluoromethoxy)phenyl]carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(3-(3-chloro-4-(difluoromethoxy)phenyl)thioureido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-[({[4-(difluoromethoxy)-3-chlorophenyl]amino}thioxomethyl)amino]-6-me thyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-[[3-chloro-4-(difluoromethoxy)phenyl]carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C19H19ClF2N2O3S2 |
|---|---|
| Molecular Weight | 460.05 g/mol |
| LogP | 5.7232 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.04938 |
| Heavy Atoms | 29 |
| Complexity | 936.41833 |
Chemical Identifiers
| CAS Number | 701941-90-4 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=CC(=C(C=C3)OC(F)F)Cl |
Product Overview
methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 701941-90-4), with molecular formula C19H19ClF2N2O3S2 and molecular weight 460.05 g/mol. IUPAC: methyl 2-[[3-chloro-4-(difluoromethoxy)phenyl]carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 5.7232 indicates that methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 701941-90-4.
What is the molecular formula of methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C19H19ClF2N2O3S2.
What is the molecular weight of methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 460.05 g/mol.
Where can I buy methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.