![N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-3,4,5-trimethoxybenzamide structure](/static/products/477/477496-91-6.png)
N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-3,4,5-trimethoxybenzamide
TL;DR: N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-3,4,5-trimethoxybenzamide (CAS 477496-91-6) is a chemical compound with molecular formula C21H23N3O4S2 and molecular weight 445.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-3,4,5-trimethoxybenzamide
Also Known As: N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-3,4,5-trimethoxybenzamide, N-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl)-3,4,5-trimethoxybenzamide, N-[(10-cyano-8-thiabicyclo[5.3.0]deca-9,11-dien-9-yl)thiocarbamoyl]-3,4,5-trimethoxy-benzamide
| Molecular Formula | C21H23N3O4S2 |
|---|---|
| Molecular Weight | 445.11 g/mol |
| LogP | 4.04128 |
| Topological Polar Surface Area | 92.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.113 |
| Heavy Atoms | 30 |
| Complexity | 985.406 |
Chemical Identifiers
| CAS Number | 477496-91-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCC3)C#N |
Product Overview
N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-3,4,5-trimethoxybenzamide (CAS 477496-91-6), with molecular formula C21H23N3O4S2 and molecular weight 445.11 g/mol. IUPAC: N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-3,4,5-trimethoxybenzamide.
Chemical Property Profile of N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-3,4,5-trimethoxybenzamide
Property Insights of N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-3,4,5-trimethoxybenzamide
The XLogP value of 4.04128 indicates that N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-3,4,5-trimethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.61 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-3,4,5-trimethoxybenzamide. Following Lipinski's Rule of Five, N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-3,4,5-trimethoxybenzamide has 2 hydrogen bond donor(s) and 7 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-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-3,4,5-trimethoxybenzamide?
The CAS number of N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-3,4,5-trimethoxybenzamide is 477496-91-6.
What is the molecular formula of N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-3,4,5-trimethoxybenzamide?
The molecular formula of N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-3,4,5-trimethoxybenzamide is C21H23N3O4S2.
What is the molecular weight of N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-3,4,5-trimethoxybenzamide?
The molecular weight of N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-3,4,5-trimethoxybenzamide is 445.11 g/mol.
Where can I buy N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-3,4,5-trimethoxybenzamide?
You can request a quote for N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-3,4,5-trimethoxybenzamide 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-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-3,4,5-trimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-3,4,5-trimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.