![methyl 2-((7-isopropyl-4-(4-methoxyphenyl)-5-oxo-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/371/371204-72-7.png)
methyl 2-((7-isopropyl-4-(4-methoxyphenyl)-5-oxo-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-4-(4-methoxyphenyl)-5-oxo-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 371204-72-7) is a chemical compound with molecular formula C24H26N4O5S2 and molecular weight 514.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[7-(4-methoxyphenyl)-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-4-(4-methoxyphenyl)-5-oxo-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-methoxyphenyl)-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 | C24H26N4O5S2 |
|---|---|
| Molecular Weight | 514.13 g/mol |
| LogP | 3.8544 |
| Topological Polar Surface Area | 96.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 514.13446 |
| Heavy Atoms | 35 |
| Complexity | 1471.6067 |
Chemical Identifiers
| CAS Number | 371204-72-7 |
|---|---|
| SMILES | CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SC(C)C(=O)OC)C5=CC=C(C=C5)OC |
Product Overview
methyl 2-((7-isopropyl-4-(4-methoxyphenyl)-5-oxo-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 371204-72-7), with molecular formula C24H26N4O5S2 and molecular weight 514.13 g/mol. IUPAC: methyl 2-[[7-(4-methoxyphenyl)-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-4-(4-methoxyphenyl)-5-oxo-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-4-(4-methoxyphenyl)-5-oxo-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 3.8544 indicates that methyl 2-((7-isopropyl-4-(4-methoxyphenyl)-5-oxo-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 96.95 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-((7-isopropyl-4-(4-methoxyphenyl)-5-oxo-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-4-(4-methoxyphenyl)-5-oxo-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 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-((7-isopropyl-4-(4-methoxyphenyl)-5-oxo-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-4-(4-methoxyphenyl)-5-oxo-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 371204-72-7.
What is the molecular formula of methyl 2-((7-isopropyl-4-(4-methoxyphenyl)-5-oxo-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-4-(4-methoxyphenyl)-5-oxo-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 C24H26N4O5S2.
What is the molecular weight of methyl 2-((7-isopropyl-4-(4-methoxyphenyl)-5-oxo-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-4-(4-methoxyphenyl)-5-oxo-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 514.13 g/mol.
Where can I buy methyl 2-((7-isopropyl-4-(4-methoxyphenyl)-5-oxo-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-4-(4-methoxyphenyl)-5-oxo-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-4-(4-methoxyphenyl)-5-oxo-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-4-(4-methoxyphenyl)-5-oxo-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.