![N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-fluorobenzamide structure](/static/products/369/369404-15-9.png)
N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-fluorobenzamide
TL;DR: N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-fluorobenzamide (CAS 369404-15-9) is a chemical compound with molecular formula C19H18FN3OS2 and molecular weight 387.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-fluorobenzamide
Also Known As: N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-fluorobenzamide, 3-{3-CYANO-4H,5H,6H,7H,8H,9H-CYCLOOCTA[B]THIOPHEN-2-YL}-1-(4-FLUOROBENZOYL)THIOUREA, N-((3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl)-4-fluorobenzamide
| Molecular Formula | C19H18FN3OS2 |
|---|---|
| Molecular Weight | 387.09 g/mol |
| LogP | 4.54468 |
| Topological Polar Surface Area | 64.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 387.08752 |
| Heavy Atoms | 26 |
| Complexity | 868.1448 |
Chemical Identifiers
| CAS Number | 369404-15-9 |
|---|---|
| SMILES | C1CCCC2=C(CC1)C(=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)F)C#N |
Product Overview
N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-fluorobenzamide (CAS 369404-15-9), with molecular formula C19H18FN3OS2 and molecular weight 387.09 g/mol. IUPAC: N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-fluorobenzamide.
Chemical Property Profile of N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-fluorobenzamide
Property Insights of N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-fluorobenzamide
The XLogP value of 4.54468 indicates that N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-fluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.92 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-fluorobenzamide. Following Lipinski's Rule of Five, N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-fluorobenzamide 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 N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-fluorobenzamide?
The CAS number of N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-fluorobenzamide is 369404-15-9.
What is the molecular formula of N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-fluorobenzamide?
The molecular formula of N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-fluorobenzamide is C19H18FN3OS2.
What is the molecular weight of N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-fluorobenzamide?
The molecular weight of N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-fluorobenzamide is 387.09 g/mol.
Where can I buy N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-fluorobenzamide?
You can request a quote for N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.