![(E)-2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide structure](/static/products/370/370574-22-4.png)
(E)-2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
TL;DR: (E)-2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (CAS 370574-22-4) is a chemical compound with molecular formula C22H25N3O4S2 and molecular weight 459.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: (E)-2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, 2-({[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[({[3-(3,4-DIMETHOXYPHENYL)ACRYLOYL]AMINO}CARBOTHIOYL)AMINO]-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE, 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C22H25N3O4S2 |
|---|---|
| Molecular Weight | 459.13 g/mol |
| LogP | 3.5154 |
| Topological Polar Surface Area | 102.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.12866 |
| Heavy Atoms | 31 |
| Complexity | 1045.6173 |
Chemical Identifiers
| CAS Number | 370574-22-4 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)/C=C/C3=CC(=C(C=C3)OC)OC |
Product Overview
(E)-2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (CAS 370574-22-4), with molecular formula C22H25N3O4S2 and molecular weight 459.13 g/mol. IUPAC: 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of (E)-2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
Property Insights of (E)-2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
The XLogP value of 3.5154 indicates that (E)-2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide. Following Lipinski's Rule of Five, (E)-2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide has 3 hydrogen bond donor(s) and 6 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 (E)-2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
The CAS number of (E)-2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide is 370574-22-4.
What is the molecular formula of (E)-2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
The molecular formula of (E)-2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide is C22H25N3O4S2.
What is the molecular weight of (E)-2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
The molecular weight of (E)-2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide is 459.13 g/mol.
Where can I buy (E)-2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
You can request a quote for (E)-2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-6-methyl-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 (E)-2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.