![2-((7,7-dimethyl-5-oxo-4-(p-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetic acid structure](/static/products/306/306967-16-8.png)
2-((7,7-dimethyl-5-oxo-4-(p-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetic acid
TL;DR: 2-((7,7-dimethyl-5-oxo-4-(p-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetic acid (CAS 306967-16-8) is a chemical compound with molecular formula C21H20N4O4S2 and molecular weight 456.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[12,12-dimethyl-7-(4-methylphenyl)-8-oxo-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]acetic acid
Also Known As: 2-((7,7-dimethyl-5-oxo-4-(p-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetic acid
| Molecular Formula | C21H20N4O4S2 |
|---|---|
| Molecular Weight | 456.09 g/mol |
| LogP | 3.43132 |
| Topological Polar Surface Area | 98.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.0926 |
| Heavy Atoms | 31 |
| Complexity | 1399.2802 |
Chemical Identifiers
| CAS Number | 306967-16-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=O)O)SC5=C3CC(OC5)(C)C |
Product Overview
2-((7,7-dimethyl-5-oxo-4-(p-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetic acid (CAS 306967-16-8), with molecular formula C21H20N4O4S2 and molecular weight 456.09 g/mol. IUPAC: 2-[[12,12-dimethyl-7-(4-methylphenyl)-8-oxo-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of 2-((7,7-dimethyl-5-oxo-4-(p-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetic acid
Property Insights of 2-((7,7-dimethyl-5-oxo-4-(p-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetic acid
The XLogP value of 3.43132 indicates that 2-((7,7-dimethyl-5-oxo-4-(p-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((7,7-dimethyl-5-oxo-4-(p-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetic acid. Following Lipinski's Rule of Five, 2-((7,7-dimethyl-5-oxo-4-(p-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetic acid has 1 hydrogen bond donor(s) and 7 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-((7,7-dimethyl-5-oxo-4-(p-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetic acid?
The CAS number of 2-((7,7-dimethyl-5-oxo-4-(p-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetic acid is 306967-16-8.
What is the molecular formula of 2-((7,7-dimethyl-5-oxo-4-(p-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetic acid?
The molecular formula of 2-((7,7-dimethyl-5-oxo-4-(p-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetic acid is C21H20N4O4S2.
What is the molecular weight of 2-((7,7-dimethyl-5-oxo-4-(p-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetic acid?
The molecular weight of 2-((7,7-dimethyl-5-oxo-4-(p-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetic acid is 456.09 g/mol.
Where can I buy 2-((7,7-dimethyl-5-oxo-4-(p-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetic acid?
You can request a quote for 2-((7,7-dimethyl-5-oxo-4-(p-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((7,7-dimethyl-5-oxo-4-(p-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((7,7-dimethyl-5-oxo-4-(p-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.