![methyl 3-chloro-6-[(2-phenylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate structure](/static/products/7082/708221-91-4.webp)
methyl 3-chloro-6-[(2-phenylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate
TL;DR: methyl 3-chloro-6-[(2-phenylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate (CAS 708221-91-4) is a chemical compound with molecular formula C23H17ClN2O2S2 and molecular weight 452.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-chloro-6-[(2-phenylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate
Also Known As: methyl 3-chloro-6-[(2-phenylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate, methyl 6-(3-([1,1'-biphenyl]-2-yl)thioureido)-3-chlorobenzo[b]thiophene-2-carboxylate, methyl 6-[(biphenyl-2-ylcarbamothioyl)amino]-3-chloro-1-benzothiophene-2-carboxylate, methyl 3-chloro-6-({[(2-phenylphenyl)amino]thioxomethyl}amino)benzo[b]thiophen e-2-carboxylate
| Molecular Formula | C23H17ClN2O2S2 |
|---|---|
| Molecular Weight | 452.04 g/mol |
| LogP | 6.8172 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.042 |
| Heavy Atoms | 30 |
| Complexity | 1238.6807 |
Chemical Identifiers
| CAS Number | 708221-91-4 |
|---|---|
| SMILES | COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=CC=C3C4=CC=CC=C4)Cl |
Product Overview
methyl 3-chloro-6-[(2-phenylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate (CAS 708221-91-4), with molecular formula C23H17ClN2O2S2 and molecular weight 452.04 g/mol. IUPAC: methyl 3-chloro-6-[(2-phenylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate.
Chemical Property Profile of methyl 3-chloro-6-[(2-phenylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate
Property Insights of methyl 3-chloro-6-[(2-phenylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate
The XLogP value of 6.8172 indicates that methyl 3-chloro-6-[(2-phenylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, methyl 3-chloro-6-[(2-phenylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3-chloro-6-[(2-phenylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 3-chloro-6-[(2-phenylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate?
The CAS number of methyl 3-chloro-6-[(2-phenylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate is 708221-91-4.
What is the molecular formula of methyl 3-chloro-6-[(2-phenylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate?
The molecular formula of methyl 3-chloro-6-[(2-phenylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate is C23H17ClN2O2S2.
What is the molecular weight of methyl 3-chloro-6-[(2-phenylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate?
The molecular weight of methyl 3-chloro-6-[(2-phenylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate is 452.04 g/mol.
Where can I buy methyl 3-chloro-6-[(2-phenylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate?
You can request a quote for methyl 3-chloro-6-[(2-phenylphenyl)carbamothioylamino]-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-[(2-phenylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-chloro-6-[(2-phenylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.