![2-{6-nitro-1,3-benzodioxol-5-yl}-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one structure](/static/products/353/353461-95-7.png)
2-{6-nitro-1,3-benzodioxol-5-yl}-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
TL;DR: 2-{6-nitro-1,3-benzodioxol-5-yl}-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one (CAS 353461-95-7) is a chemical compound with molecular formula C17H16N4O5S and molecular weight 388.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-methyl-5-(6-nitro-1,3-benzodioxol-5-yl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
Also Known As: 2-{6-nitro-1,3-benzodioxol-5-yl}-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one, 7-methyl-2-(6-nitro-1,3-benzodioxol-5-yl)-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol, 7-methyl-2-(6-nitrobenzo[d][1,3]dioxol-5-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
| Molecular Formula | C17H16N4O5S |
|---|---|
| Molecular Weight | 388.08 g/mol |
| LogP | 2.227 |
| Topological Polar Surface Area | 105.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 388.08414 |
| Heavy Atoms | 27 |
| Complexity | 988.1888 |
Chemical Identifiers
| CAS Number | 353461-95-7 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC5=C(C=C4[N+](=O)[O-])OCO5 |
Product Overview
2-{6-nitro-1,3-benzodioxol-5-yl}-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one (CAS 353461-95-7), with molecular formula C17H16N4O5S and molecular weight 388.08 g/mol. IUPAC: 11-methyl-5-(6-nitro-1,3-benzodioxol-5-yl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one.
Chemical Property Profile of 2-{6-nitro-1,3-benzodioxol-5-yl}-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
Property Insights of 2-{6-nitro-1,3-benzodioxol-5-yl}-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
The XLogP value of 2.227 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{6-nitro-1,3-benzodioxol-5-yl}-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one. The TPSA of 105.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{6-nitro-1,3-benzodioxol-5-yl}-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 2-{6-nitro-1,3-benzodioxol-5-yl}-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one has 2 hydrogen bond donor(s) and 8 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 2-{6-nitro-1,3-benzodioxol-5-yl}-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one?
The CAS number of 2-{6-nitro-1,3-benzodioxol-5-yl}-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one is 353461-95-7.
What is the molecular formula of 2-{6-nitro-1,3-benzodioxol-5-yl}-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one?
The molecular formula of 2-{6-nitro-1,3-benzodioxol-5-yl}-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one is C17H16N4O5S.
What is the molecular weight of 2-{6-nitro-1,3-benzodioxol-5-yl}-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one?
The molecular weight of 2-{6-nitro-1,3-benzodioxol-5-yl}-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one is 388.08 g/mol.
Where can I buy 2-{6-nitro-1,3-benzodioxol-5-yl}-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one?
You can request a quote for 2-{6-nitro-1,3-benzodioxol-5-yl}-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{6-nitro-1,3-benzodioxol-5-yl}-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-{6-nitro-1,3-benzodioxol-5-yl}-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.