![1-((4-isopropoxybenzyl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one structure](/static/products/497/497231-58-0.png)
1-((4-isopropoxybenzyl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one
TL;DR: 1-((4-isopropoxybenzyl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one (CAS 497231-58-0) is a chemical compound with molecular formula C29H30N4O3S2 and molecular weight 546.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,12-dimethyl-7-(3-methylphenyl)-3-[(4-propan-2-yloxyphenyl)methylsulfanyl]-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
Also Known As: 1-((4-isopropoxybenzyl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one, 7,7-dimethyl-4-(3-methylphenyl)-1-{[4-(propan-2-yloxy)benzyl]sulfanyl}-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
| Molecular Formula | C29H30N4O3S2 |
|---|---|
| Molecular Weight | 546.18 g/mol |
| LogP | 6.33412 |
| Topological Polar Surface Area | 70.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 546.1759 |
| Heavy Atoms | 38 |
| Complexity | 1714.3274 |
Chemical Identifiers
| CAS Number | 497231-58-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NN=C4SCC5=CC=C(C=C5)OC(C)C)SC6=C3CC(OC6)(C)C |
Product Overview
1-((4-isopropoxybenzyl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one (CAS 497231-58-0), with molecular formula C29H30N4O3S2 and molecular weight 546.18 g/mol. IUPAC: 12,12-dimethyl-7-(3-methylphenyl)-3-[(4-propan-2-yloxyphenyl)methylsulfanyl]-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one.
Chemical Property Profile of 1-((4-isopropoxybenzyl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one
Property Insights of 1-((4-isopropoxybenzyl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one
The XLogP value of 6.33412 indicates that 1-((4-isopropoxybenzyl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((4-isopropoxybenzyl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one. Following Lipinski's Rule of Five, 1-((4-isopropoxybenzyl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-((4-isopropoxybenzyl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one?
The CAS number of 1-((4-isopropoxybenzyl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one is 497231-58-0.
What is the molecular formula of 1-((4-isopropoxybenzyl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one?
The molecular formula of 1-((4-isopropoxybenzyl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one is C29H30N4O3S2.
What is the molecular weight of 1-((4-isopropoxybenzyl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one?
The molecular weight of 1-((4-isopropoxybenzyl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one is 546.18 g/mol.
Where can I buy 1-((4-isopropoxybenzyl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one?
You can request a quote for 1-((4-isopropoxybenzyl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((4-isopropoxybenzyl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-((4-isopropoxybenzyl)thio)-7,7-dimethyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.