![N-[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-methylcarbamothioyl]benzamide structure](/static/products/898/898608-68-9.png)
N-[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-methylcarbamothioyl]benzamide
TL;DR: N-[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-methylcarbamothioyl]benzamide (CAS 898608-68-9) is a chemical compound with molecular formula C19H19N3O2S2 and molecular weight 385.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-methylcarbamothioyl]benzamide
Also Known As: N-[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-methylcarbamothioyl]benzamide, N-((3-cyano-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)(methyl)carbamothioyl)benzamide, N-[(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)(methyl)carbamothioyl]benzamide
| Molecular Formula | C19H19N3O2S2 |
|---|---|
| Molecular Weight | 385.09 g/mol |
| LogP | 3.62218 |
| Topological Polar Surface Area | 65.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 385.09186 |
| Heavy Atoms | 26 |
| Complexity | 897.49835 |
Chemical Identifiers
| CAS Number | 898608-68-9 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC(=C2C#N)N(C)C(=S)NC(=O)C3=CC=CC=C3)C |
Product Overview
N-[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-methylcarbamothioyl]benzamide (CAS 898608-68-9), with molecular formula C19H19N3O2S2 and molecular weight 385.09 g/mol. IUPAC: N-[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-methylcarbamothioyl]benzamide.
Chemical Property Profile of N-[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-methylcarbamothioyl]benzamide
Property Insights of N-[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-methylcarbamothioyl]benzamide
The XLogP value of 3.62218 indicates that N-[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-methylcarbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.36 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-methylcarbamothioyl]benzamide. Following Lipinski's Rule of Five, N-[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-methylcarbamothioyl]benzamide has 1 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-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-methylcarbamothioyl]benzamide?
The CAS number of N-[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-methylcarbamothioyl]benzamide is 898608-68-9.
What is the molecular formula of N-[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-methylcarbamothioyl]benzamide?
The molecular formula of N-[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-methylcarbamothioyl]benzamide is C19H19N3O2S2.
What is the molecular weight of N-[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-methylcarbamothioyl]benzamide?
The molecular weight of N-[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-methylcarbamothioyl]benzamide is 385.09 g/mol.
Where can I buy N-[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-methylcarbamothioyl]benzamide?
You can request a quote for N-[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-methylcarbamothioyl]benzamide 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-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-methylcarbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-methylcarbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.