![Methyl 3-(3-(4-chlorobenzoyl)thioureido)benzo[b]thiophene-2-carboxylate structure](/static/products/4775/477537-66-9.webp)
Methyl 3-(3-(4-chlorobenzoyl)thioureido)benzo[b]thiophene-2-carboxylate
TL;DR: Methyl 3-(3-(4-chlorobenzoyl)thioureido)benzo[b]thiophene-2-carboxylate (CAS 477537-66-9) is a chemical compound with molecular formula C18H13ClN2O3S2 and molecular weight 404.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(4-chlorobenzoyl)carbamothioylamino]-1-benzothiophene-2-carboxylate
Also Known As: F0816-0547, methyl 3-(3-(4-chlorobenzoyl)thioureido)benzo[b]thiophene-2-carboxylate, methyl 3-[(4-chlorobenzoyl)carbamothioylamino]-1-benzothiophene-2-carboxylate, methyl 3-({[(4-chlorophenyl)formamido]methanethioyl}amino)-1-benzothiophene-2-carboxylate, methyl 3-[3-(p-chlorobenzoyl)thioureido]-1-benzothiophene-2-carboxylate
| Molecular Formula | C18H13ClN2O3S2 |
|---|---|
| Molecular Weight | 404.01 g/mol |
| LogP | 4.4681 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.0056 |
| Heavy Atoms | 26 |
| Complexity | 999.3438 |
Chemical Identifiers
| CAS Number | 477537-66-9 |
|---|---|
| SMILES | COC(=O)C1=C(C2=CC=CC=C2S1)NC(=S)NC(=O)C3=CC=C(C=C3)Cl |
Product Overview
Methyl 3-(3-(4-chlorobenzoyl)thioureido)benzo[b]thiophene-2-carboxylate (CAS 477537-66-9), with molecular formula C18H13ClN2O3S2 and molecular weight 404.01 g/mol. IUPAC: methyl 3-[(4-chlorobenzoyl)carbamothioylamino]-1-benzothiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-(3-(4-chlorobenzoyl)thioureido)benzo[b]thiophene-2-carboxylate
Property Insights of Methyl 3-(3-(4-chlorobenzoyl)thioureido)benzo[b]thiophene-2-carboxylate
The XLogP value of 4.4681 indicates that Methyl 3-(3-(4-chlorobenzoyl)thioureido)benzo[b]thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(3-(4-chlorobenzoyl)thioureido)benzo[b]thiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3-(3-(4-chlorobenzoyl)thioureido)benzo[b]thiophene-2-carboxylate has 2 hydrogen bond donor(s) and 5 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-(3-(4-chlorobenzoyl)thioureido)benzo[b]thiophene-2-carboxylate?
The CAS number of Methyl 3-(3-(4-chlorobenzoyl)thioureido)benzo[b]thiophene-2-carboxylate is 477537-66-9.
What is the molecular formula of Methyl 3-(3-(4-chlorobenzoyl)thioureido)benzo[b]thiophene-2-carboxylate?
The molecular formula of Methyl 3-(3-(4-chlorobenzoyl)thioureido)benzo[b]thiophene-2-carboxylate is C18H13ClN2O3S2.
What is the molecular weight of Methyl 3-(3-(4-chlorobenzoyl)thioureido)benzo[b]thiophene-2-carboxylate?
The molecular weight of Methyl 3-(3-(4-chlorobenzoyl)thioureido)benzo[b]thiophene-2-carboxylate is 404.01 g/mol.
Where can I buy Methyl 3-(3-(4-chlorobenzoyl)thioureido)benzo[b]thiophene-2-carboxylate?
You can request a quote for Methyl 3-(3-(4-chlorobenzoyl)thioureido)benzo[b]thiophene-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-(3-(4-chlorobenzoyl)thioureido)benzo[b]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(3-(4-chlorobenzoyl)thioureido)benzo[b]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.