3-chloro-6-methoxy-N-(1-phenylethylcarbamothioyl)-1-benzothiophene-2-carboxamide
TL;DR: 3-chloro-6-methoxy-N-(1-phenylethylcarbamothioyl)-1-benzothiophene-2-carboxamide (CAS 642983-64-0) is a chemical compound with molecular formula C19H17ClN2O2S2 and molecular weight 404.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-6-methoxy-N-(1-phenylethylcarbamothioyl)-1-benzothiophene-2-carboxamide
Also Known As: AN-329/41561654, 3-chloro-6-methoxy-N-(1-phenylethylcarbamothioyl)-1-benzothiophene-2-carboxamide, 3-chloro-6-methoxy-N-[(1-phenylethyl)carbamothioyl]-1-benzothiophene-2-carboxamide, 3-chloro-6-methoxy-N-{[(1-phenylethyl)amino]carbonothioyl}-1-benzothiophene-2-carboxamide, N-[(3-chloro-6-methoxy-1-benzothien-2-yl)carbonyl]-N'-(1-phenylethyl)thiourea
| Molecular Formula | C19H17ClN2O2S2 |
|---|---|
| Molecular Weight | 404.04 g/mol |
| LogP | 4.9288 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.042 |
| Heavy Atoms | 26 |
| Complexity | 956.83246 |
Chemical Identifiers
| CAS Number | 642983-64-0 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl |
Product Overview
3-chloro-6-methoxy-N-(1-phenylethylcarbamothioyl)-1-benzothiophene-2-carboxamide (CAS 642983-64-0), with molecular formula C19H17ClN2O2S2 and molecular weight 404.04 g/mol. IUPAC: 3-chloro-6-methoxy-N-(1-phenylethylcarbamothioyl)-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-chloro-6-methoxy-N-(1-phenylethylcarbamothioyl)-1-benzothiophene-2-carboxamide
Property Insights of 3-chloro-6-methoxy-N-(1-phenylethylcarbamothioyl)-1-benzothiophene-2-carboxamide
The XLogP value of 4.9288 indicates that 3-chloro-6-methoxy-N-(1-phenylethylcarbamothioyl)-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, 3-chloro-6-methoxy-N-(1-phenylethylcarbamothioyl)-1-benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-6-methoxy-N-(1-phenylethylcarbamothioyl)-1-benzothiophene-2-carboxamide has 2 hydrogen bond donor(s) and 4 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 3-chloro-6-methoxy-N-(1-phenylethylcarbamothioyl)-1-benzothiophene-2-carboxamide?
The CAS number of 3-chloro-6-methoxy-N-(1-phenylethylcarbamothioyl)-1-benzothiophene-2-carboxamide is 642983-64-0.
What is the molecular formula of 3-chloro-6-methoxy-N-(1-phenylethylcarbamothioyl)-1-benzothiophene-2-carboxamide?
The molecular formula of 3-chloro-6-methoxy-N-(1-phenylethylcarbamothioyl)-1-benzothiophene-2-carboxamide is C19H17ClN2O2S2.
What is the molecular weight of 3-chloro-6-methoxy-N-(1-phenylethylcarbamothioyl)-1-benzothiophene-2-carboxamide?
The molecular weight of 3-chloro-6-methoxy-N-(1-phenylethylcarbamothioyl)-1-benzothiophene-2-carboxamide is 404.04 g/mol.
Where can I buy 3-chloro-6-methoxy-N-(1-phenylethylcarbamothioyl)-1-benzothiophene-2-carboxamide?
You can request a quote for 3-chloro-6-methoxy-N-(1-phenylethylcarbamothioyl)-1-benzothiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-6-methoxy-N-(1-phenylethylcarbamothioyl)-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-6-methoxy-N-(1-phenylethylcarbamothioyl)-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.