![N-({2-[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]hydrazinyl}carbonothioyl)-4-methoxybenzamide structure](/static/products/848/848059-39-2.png)
N-({2-[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]hydrazinyl}carbonothioyl)-4-methoxybenzamide
TL;DR: N-({2-[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]hydrazinyl}carbonothioyl)-4-methoxybenzamide (CAS 848059-39-2) is a chemical compound with molecular formula C21H23N5O3S3 and molecular weight 489.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[(12,12-dimethyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]carbamothioyl]-4-methoxybenzamide
Also Known As: N-({2-[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]hydrazinyl}carbonothioyl)-4-methoxybenzamide, N-(2-(6,6-dimethyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)hydrazinecarbonothioyl)-4-methoxybenzamide
| Molecular Formula | C21H23N5O3S3 |
|---|---|
| Molecular Weight | 489.10 g/mol |
| LogP | 3.9045 |
| Topological Polar Surface Area | 97.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 489.0963 |
| Heavy Atoms | 32 |
| Complexity | 1177.6321 |
Chemical Identifiers
| CAS Number | 848059-39-2 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=NC(=NC(=C23)NNC(=S)NC(=O)C4=CC=C(C=C4)OC)SC)C |
Product Overview
N-({2-[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]hydrazinyl}carbonothioyl)-4-methoxybenzamide (CAS 848059-39-2), with molecular formula C21H23N5O3S3 and molecular weight 489.10 g/mol. IUPAC: N-[[(12,12-dimethyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]carbamothioyl]-4-methoxybenzamide.
Chemical Property Profile of N-({2-[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]hydrazinyl}carbonothioyl)-4-methoxybenzamide
Property Insights of N-({2-[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]hydrazinyl}carbonothioyl)-4-methoxybenzamide
The XLogP value of 3.9045 indicates that N-({2-[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]hydrazinyl}carbonothioyl)-4-methoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-({2-[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]hydrazinyl}carbonothioyl)-4-methoxybenzamide. Following Lipinski's Rule of Five, N-({2-[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]hydrazinyl}carbonothioyl)-4-methoxybenzamide has 3 hydrogen bond donor(s) and 9 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-({2-[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]hydrazinyl}carbonothioyl)-4-methoxybenzamide?
The CAS number of N-({2-[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]hydrazinyl}carbonothioyl)-4-methoxybenzamide is 848059-39-2.
What is the molecular formula of N-({2-[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]hydrazinyl}carbonothioyl)-4-methoxybenzamide?
The molecular formula of N-({2-[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]hydrazinyl}carbonothioyl)-4-methoxybenzamide is C21H23N5O3S3.
What is the molecular weight of N-({2-[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]hydrazinyl}carbonothioyl)-4-methoxybenzamide?
The molecular weight of N-({2-[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]hydrazinyl}carbonothioyl)-4-methoxybenzamide is 489.10 g/mol.
Where can I buy N-({2-[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]hydrazinyl}carbonothioyl)-4-methoxybenzamide?
You can request a quote for N-({2-[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]hydrazinyl}carbonothioyl)-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-({2-[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]hydrazinyl}carbonothioyl)-4-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-({2-[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]hydrazinyl}carbonothioyl)-4-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.