![6-methyl-2-(3-(2-phenoxyacetyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide structure](/static/products/642/642425-10-3.png)
6-methyl-2-(3-(2-phenoxyacetyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
TL;DR: 6-methyl-2-(3-(2-phenoxyacetyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (CAS 642425-10-3) is a chemical compound with molecular formula C19H21N3O3S2 and molecular weight 403.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-[(2-phenoxyacetyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: 6-methyl-2-(3-(2-phenoxyacetyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, 6-methyl-2-[(2-phenoxyacetyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 6-methyl-2-{[(phenoxyacetyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C19H21N3O3S2 |
|---|---|
| Molecular Weight | 403.10 g/mol |
| LogP | 2.8638 |
| Topological Polar Surface Area | 93.45 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.10245 |
| Heavy Atoms | 27 |
| Complexity | 864.5849 |
Chemical Identifiers
| CAS Number | 642425-10-3 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)COC3=CC=CC=C3 |
Product Overview
6-methyl-2-(3-(2-phenoxyacetyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (CAS 642425-10-3), with molecular formula C19H21N3O3S2 and molecular weight 403.10 g/mol. IUPAC: 6-methyl-2-[(2-phenoxyacetyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of 6-methyl-2-(3-(2-phenoxyacetyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
Property Insights of 6-methyl-2-(3-(2-phenoxyacetyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
The XLogP value of 2.8638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-methyl-2-(3-(2-phenoxyacetyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide. The TPSA of 93.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-methyl-2-(3-(2-phenoxyacetyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide. Following Lipinski's Rule of Five, 6-methyl-2-(3-(2-phenoxyacetyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide has 3 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 6-methyl-2-(3-(2-phenoxyacetyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
The CAS number of 6-methyl-2-(3-(2-phenoxyacetyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide is 642425-10-3.
What is the molecular formula of 6-methyl-2-(3-(2-phenoxyacetyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
The molecular formula of 6-methyl-2-(3-(2-phenoxyacetyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide is C19H21N3O3S2.
What is the molecular weight of 6-methyl-2-(3-(2-phenoxyacetyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
The molecular weight of 6-methyl-2-(3-(2-phenoxyacetyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide is 403.10 g/mol.
Where can I buy 6-methyl-2-(3-(2-phenoxyacetyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
You can request a quote for 6-methyl-2-(3-(2-phenoxyacetyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-methyl-2-(3-(2-phenoxyacetyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 6-methyl-2-(3-(2-phenoxyacetyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.