![N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-propoxybenzamide structure](/static/products/370/370582-52-8.png)
N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-propoxybenzamide
TL;DR: N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-propoxybenzamide (CAS 370582-52-8) is a chemical compound with molecular formula C22H25N3O2S2 and molecular weight 427.14 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-propoxybenzamide
Also Known As: N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-propoxybenzamide, 3-{3-CYANO-4H,5H,6H,7H,8H,9H-CYCLOOCTA[B]THIOPHEN-2-YL}-1-(4-PROPOXYBENZOYL)THIOUREA, N-((3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl)-4-propoxybenzamide, N-[(11-cyano-9-thiabicyclo[6.3.0]undeca-10,12-dien-10-yl)thiocarbamoyl]-4-propoxy-benzamide
| Molecular Formula | C22H25N3O2S2 |
|---|---|
| Molecular Weight | 427.14 g/mol |
| LogP | 5.19438 |
| Topological Polar Surface Area | 74.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.13882 |
| Heavy Atoms | 29 |
| Complexity | 913.37396 |
Chemical Identifiers
| CAS Number | 370582-52-8 |
|---|---|
| SMILES | CCCOC1=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-propoxybenzamide (CAS 370582-52-8), with molecular formula C22H25N3O2S2 and molecular weight 427.14 g/mol. IUPAC: N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-propoxybenzamide.
Chemical Property Profile of N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-propoxybenzamide
Property Insights of N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-propoxybenzamide
The XLogP value of 5.19438 indicates that N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-propoxybenzamide 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-propoxybenzamide. Following Lipinski's Rule of Five, N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-propoxybenzamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
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-propoxybenzamide?
The CAS number of N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-propoxybenzamide is 370582-52-8.
What is the molecular formula of N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-propoxybenzamide?
The molecular formula of N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-propoxybenzamide is C22H25N3O2S2.
What is the molecular weight of N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-propoxybenzamide?
The molecular weight of N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-propoxybenzamide is 427.14 g/mol.
Where can I buy N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-propoxybenzamide?
You can request a quote for N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-propoxybenzamide 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-propoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-propoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.