![N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-3,4-dimethoxybenzamide structure](/static/products/3694/369404-00-2.webp)
N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-3,4-dimethoxybenzamide
TL;DR: N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-3,4-dimethoxybenzamide (CAS 369404-00-2) is a chemical compound with molecular formula C21H23N3O3S2 and molecular weight 429.12 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]-3,4-dimethoxybenzamide
Also Known As: N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-3,4-dimethoxybenzamide, N-((3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl)-3,4-dimethoxybenzamide, N-(3-CYANO-4,5,6,7,8,9-HEXAHYDROCYCLOOCTA[B]THIOPHEN-2-YL)-N'-(3,4-DIMETHOXYBENZOYL)THIOUREA, N-[(11-cyano-9-thiabicyclo[6.3.0]undeca-10,12-dien-10-yl)thiocarbamoyl]-3,4-dimethoxy-benzamide
| Molecular Formula | C21H23N3O3S2 |
|---|---|
| Molecular Weight | 429.12 g/mol |
| LogP | 4.42278 |
| Topological Polar Surface Area | 83.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.11807 |
| Heavy Atoms | 29 |
| Complexity | 962.8114 |
Chemical Identifiers
| CAS Number | 369404-00-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCCC3)C#N)OC |
Product Overview
N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-3,4-dimethoxybenzamide (CAS 369404-00-2), with molecular formula C21H23N3O3S2 and molecular weight 429.12 g/mol. IUPAC: N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-3,4-dimethoxybenzamide.
Chemical Property Profile of N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-3,4-dimethoxybenzamide
Property Insights of N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-3,4-dimethoxybenzamide
The XLogP value of 4.42278 indicates that N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-3,4-dimethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.38 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]-3,4-dimethoxybenzamide. Following Lipinski's Rule of Five, N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-3,4-dimethoxybenzamide has 2 hydrogen bond donor(s) and 6 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]-3,4-dimethoxybenzamide?
The CAS number of N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-3,4-dimethoxybenzamide is 369404-00-2.
What is the molecular formula of N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-3,4-dimethoxybenzamide?
The molecular formula of N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-3,4-dimethoxybenzamide is C21H23N3O3S2.
What is the molecular weight of N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-3,4-dimethoxybenzamide?
The molecular weight of N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-3,4-dimethoxybenzamide is 429.12 g/mol.
Where can I buy N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-3,4-dimethoxybenzamide?
You can request a quote for N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-3,4-dimethoxybenzamide 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]-3,4-dimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-3,4-dimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.