![N-(3-chlorophenyl)-2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)acetamide structure](/static/products/850/850752-44-2.png)
N-(3-chlorophenyl)-2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)acetamide
TL;DR: N-(3-chlorophenyl)-2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)acetamide (CAS 850752-44-2) is a chemical compound with molecular formula C18H17ClN4O3S and molecular weight 404.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-2-(12,12-dimethyl-3-oxo-11-oxa-8-thia-4,5,6-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-yl)acetamide
Also Known As: N-(3-chlorophenyl)-2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)acetamide, N-(3-chlorophenyl)-2-(6,6-dimethyl-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3(6H)-yl)acetamide
| Molecular Formula | C18H17ClN4O3S |
|---|---|
| Molecular Weight | 404.07 g/mol |
| LogP | 2.9964 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.07098 |
| Heavy Atoms | 27 |
| Complexity | 1105.67 |
Chemical Identifiers
| CAS Number | 850752-44-2 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(N=N3)CC(=O)NC4=CC(=CC=C4)Cl)C |
Product Overview
N-(3-chlorophenyl)-2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)acetamide (CAS 850752-44-2), with molecular formula C18H17ClN4O3S and molecular weight 404.07 g/mol. IUPAC: N-(3-chlorophenyl)-2-(12,12-dimethyl-3-oxo-11-oxa-8-thia-4,5,6-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-yl)acetamide.
Chemical Property Profile of N-(3-chlorophenyl)-2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)acetamide
Property Insights of N-(3-chlorophenyl)-2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)acetamide
The XLogP value of 2.9964 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-chlorophenyl)-2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)acetamide. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-chlorophenyl)-2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)acetamide. Following Lipinski's Rule of Five, N-(3-chlorophenyl)-2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)acetamide has 1 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-chlorophenyl)-2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)acetamide?
The CAS number of N-(3-chlorophenyl)-2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)acetamide is 850752-44-2.
What is the molecular formula of N-(3-chlorophenyl)-2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)acetamide?
The molecular formula of N-(3-chlorophenyl)-2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)acetamide is C18H17ClN4O3S.
What is the molecular weight of N-(3-chlorophenyl)-2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)acetamide?
The molecular weight of N-(3-chlorophenyl)-2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)acetamide is 404.07 g/mol.
Where can I buy N-(3-chlorophenyl)-2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)acetamide?
You can request a quote for N-(3-chlorophenyl)-2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chlorophenyl)-2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chlorophenyl)-2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.