N-((1,3-dioxoisoindolin-4-yl)carbamothioyl)thiophene-2-carboxamide
TL;DR: N-((1,3-dioxoisoindolin-4-yl)carbamothioyl)thiophene-2-carboxamide (CAS 477496-22-3) is a chemical compound with molecular formula C14H9N3O3S2 and molecular weight 331.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(1,3-dioxoisoindol-4-yl)carbamothioyl]thiophene-2-carboxamide
Also Known As: F0846-0266, 4-[3-(2-thenoyl)thioureido]-1,3-isoindolinedione, N-((1,3-dioxoisoindolin-4-yl)carbamothioyl)thiophene-2-carboxamide, 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)-1-(thiophene-2-carbonyl)thiourea, N-[(1,3-dioxoisoindol-4-yl)carbamothioyl]thiophene-2-carboxamide
| Molecular Formula | C14H9N3O3S2 |
|---|---|
| Molecular Weight | 331.01 g/mol |
| LogP | 1.7585 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.00854 |
| Heavy Atoms | 22 |
| Complexity | 799.6693 |
Chemical Identifiers
| CAS Number | 477496-22-3 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)NC(=S)NC(=O)C3=CC=CS3)C(=O)NC2=O |
Product Overview
N-((1,3-dioxoisoindolin-4-yl)carbamothioyl)thiophene-2-carboxamide (CAS 477496-22-3), with molecular formula C14H9N3O3S2 and molecular weight 331.01 g/mol. IUPAC: N-[(1,3-dioxoisoindol-4-yl)carbamothioyl]thiophene-2-carboxamide.
Chemical Property Profile of N-((1,3-dioxoisoindolin-4-yl)carbamothioyl)thiophene-2-carboxamide
Property Insights of N-((1,3-dioxoisoindolin-4-yl)carbamothioyl)thiophene-2-carboxamide
The XLogP value of 1.7585 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((1,3-dioxoisoindolin-4-yl)carbamothioyl)thiophene-2-carboxamide. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((1,3-dioxoisoindolin-4-yl)carbamothioyl)thiophene-2-carboxamide. Following Lipinski's Rule of Five, N-((1,3-dioxoisoindolin-4-yl)carbamothioyl)thiophene-2-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 N-((1,3-dioxoisoindolin-4-yl)carbamothioyl)thiophene-2-carboxamide?
The CAS number of N-((1,3-dioxoisoindolin-4-yl)carbamothioyl)thiophene-2-carboxamide is 477496-22-3.
What is the molecular formula of N-((1,3-dioxoisoindolin-4-yl)carbamothioyl)thiophene-2-carboxamide?
The molecular formula of N-((1,3-dioxoisoindolin-4-yl)carbamothioyl)thiophene-2-carboxamide is C14H9N3O3S2.
What is the molecular weight of N-((1,3-dioxoisoindolin-4-yl)carbamothioyl)thiophene-2-carboxamide?
The molecular weight of N-((1,3-dioxoisoindolin-4-yl)carbamothioyl)thiophene-2-carboxamide is 331.01 g/mol.
Where can I buy N-((1,3-dioxoisoindolin-4-yl)carbamothioyl)thiophene-2-carboxamide?
You can request a quote for N-((1,3-dioxoisoindolin-4-yl)carbamothioyl)thiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((1,3-dioxoisoindolin-4-yl)carbamothioyl)thiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-((1,3-dioxoisoindolin-4-yl)carbamothioyl)thiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.