![2-(3-(4-benzoylbenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide structure](/static/products/3918/391896-54-1.webp)
2-(3-(4-benzoylbenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
TL;DR: 2-(3-(4-benzoylbenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (CAS 391896-54-1) is a chemical compound with molecular formula C24H21N3O3S2 and molecular weight 463.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-benzoylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: 2-(3-(4-benzoylbenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, F0496-0141, 2-[(4-benzoylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-({[(4-benzoylphenyl)formamido]methanethioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[(4-benzoylbenzoyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
| Molecular Formula | C24H21N3O3S2 |
|---|---|
| Molecular Weight | 463.10 g/mol |
| LogP | 4.0836 |
| Topological Polar Surface Area | 101.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 463.10245 |
| Heavy Atoms | 32 |
| Complexity | 1201.2323 |
Chemical Identifiers
| CAS Number | 391896-54-1 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4)C(=O)N |
Product Overview
2-(3-(4-benzoylbenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (CAS 391896-54-1), with molecular formula C24H21N3O3S2 and molecular weight 463.10 g/mol. IUPAC: 2-[(4-benzoylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of 2-(3-(4-benzoylbenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
Property Insights of 2-(3-(4-benzoylbenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
The XLogP value of 4.0836 indicates that 2-(3-(4-benzoylbenzoyl)thioureido)-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 101.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-(4-benzoylbenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide. Following Lipinski's Rule of Five, 2-(3-(4-benzoylbenzoyl)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 2-(3-(4-benzoylbenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
The CAS number of 2-(3-(4-benzoylbenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide is 391896-54-1.
What is the molecular formula of 2-(3-(4-benzoylbenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
The molecular formula of 2-(3-(4-benzoylbenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide is C24H21N3O3S2.
What is the molecular weight of 2-(3-(4-benzoylbenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
The molecular weight of 2-(3-(4-benzoylbenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide is 463.10 g/mol.
Where can I buy 2-(3-(4-benzoylbenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
You can request a quote for 2-(3-(4-benzoylbenzoyl)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 2-(3-(4-benzoylbenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-(4-benzoylbenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.