![N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-methoxybenzamide structure](/static/products/370/370576-87-7.png)
N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-methoxybenzamide
TL;DR: N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-methoxybenzamide (CAS 370576-87-7) is a chemical compound with molecular formula C20H21N3O2S2 and molecular weight 399.11 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-methoxybenzamide
Also Known As: N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-methoxybenzamide, 3-{3-CYANO-4H,5H,6H,7H,8H,9H-CYCLOOCTA[B]THIOPHEN-2-YL}-1-(4-METHOXYBENZOYL)THIOUREA, N-((3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl)-4-methoxybenzamide
| Molecular Formula | C20H21N3O2S2 |
|---|---|
| Molecular Weight | 399.11 g/mol |
| LogP | 4.41418 |
| Topological Polar Surface Area | 74.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.1075 |
| Heavy Atoms | 27 |
| Complexity | 881.8672 |
Chemical Identifiers
| CAS Number | 370576-87-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCCC3)C#N |
Product Overview
N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-methoxybenzamide (CAS 370576-87-7), with molecular formula C20H21N3O2S2 and molecular weight 399.11 g/mol. IUPAC: N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-methoxybenzamide.
Chemical Property Profile of N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-methoxybenzamide
Property Insights of N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-methoxybenzamide
The XLogP value of 4.41418 indicates that N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-methoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.15 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-methoxybenzamide. Following Lipinski's Rule of Five, N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-methoxybenzamide has 2 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-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-methoxybenzamide?
The CAS number of N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-methoxybenzamide is 370576-87-7.
What is the molecular formula of N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-methoxybenzamide?
The molecular formula of N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-methoxybenzamide is C20H21N3O2S2.
What is the molecular weight of N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-methoxybenzamide?
The molecular weight of N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-methoxybenzamide is 399.11 g/mol.
Where can I buy N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-methoxybenzamide?
You can request a quote for N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-methoxybenzamide 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-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.