![methyl 2-((7-isopropyl-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)propanoate structure](/static/products/383/383901-17-5.png)
methyl 2-((7-isopropyl-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)propanoate
TL;DR: methyl 2-((7-isopropyl-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)propanoate (CAS 383901-17-5) is a chemical compound with molecular formula C24H26N4O4S2 and molecular weight 498.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[7-(4-methylphenyl)-8-oxo-12-propan-2-yl-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]propanoate
Also Known As: methyl 2-((7-isopropyl-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)propanoate, methyl 2-{[4-(4-methylphenyl)-5-oxo-7-(propan-2-yl)-4,5,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}propanoate
| Molecular Formula | C24H26N4O4S2 |
|---|---|
| Molecular Weight | 498.14 g/mol |
| LogP | 4.15422 |
| Topological Polar Surface Area | 87.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 498.13956 |
| Heavy Atoms | 34 |
| Complexity | 1452.178 |
Chemical Identifiers
| CAS Number | 383901-17-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SC(C)C(=O)OC)SC5=C3CC(OC5)C(C)C |
Product Overview
methyl 2-((7-isopropyl-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)propanoate (CAS 383901-17-5), with molecular formula C24H26N4O4S2 and molecular weight 498.14 g/mol. IUPAC: methyl 2-[[7-(4-methylphenyl)-8-oxo-12-propan-2-yl-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]propanoate.
Chemical Property Profile of methyl 2-((7-isopropyl-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)propanoate
Property Insights of methyl 2-((7-isopropyl-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)propanoate
The XLogP value of 4.15422 indicates that methyl 2-((7-isopropyl-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)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.72 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-((7-isopropyl-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)propanoate. Following Lipinski's Rule of Five, methyl 2-((7-isopropyl-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)propanoate has 0 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 methyl 2-((7-isopropyl-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)propanoate?
The CAS number of methyl 2-((7-isopropyl-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)propanoate is 383901-17-5.
What is the molecular formula of methyl 2-((7-isopropyl-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)propanoate?
The molecular formula of methyl 2-((7-isopropyl-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)propanoate is C24H26N4O4S2.
What is the molecular weight of methyl 2-((7-isopropyl-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)propanoate?
The molecular weight of methyl 2-((7-isopropyl-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)propanoate is 498.14 g/mol.
Where can I buy methyl 2-((7-isopropyl-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)propanoate?
You can request a quote for methyl 2-((7-isopropyl-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)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-((7-isopropyl-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)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-((7-isopropyl-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)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.