![methyl 4-(7-(3,4-dimethoxyphenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzoate structure](/static/products/877/877790-54-0.png)
methyl 4-(7-(3,4-dimethoxyphenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzoate
TL;DR: methyl 4-(7-(3,4-dimethoxyphenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzoate (CAS 877790-54-0) is a chemical compound with molecular formula C28H24N4O5 and molecular weight 496.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[11-(3,4-dimethoxyphenyl)-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaen-9-yl]benzoate
Also Known As: methyl 4-(7-(3,4-dimethoxyphenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzoate, methyl 4-[11-(3,4-dimethoxyphenyl)-8-oxa-12,13,15,17-tetraazatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(10),2,4,6,13,15-hexaen-9-yl]benzoate, methyl 4-[7-(3,4-dimethoxyphenyl)-7,11-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl]benzoate
| Molecular Formula | C28H24N4O5 |
|---|---|
| Molecular Weight | 496.17 g/mol |
| LogP | 4.6418 |
| Topological Polar Surface Area | 96.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.17468 |
| Heavy Atoms | 37 |
| Complexity | 1525.8319 |
Chemical Identifiers
| CAS Number | 877790-54-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C3=C(C4=CC=CC=C4OC3C5=CC=C(C=C5)C(=O)OC)NC6=NC=NN26)OC |
Product Overview
methyl 4-(7-(3,4-dimethoxyphenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzoate (CAS 877790-54-0), with molecular formula C28H24N4O5 and molecular weight 496.17 g/mol. IUPAC: methyl 4-[11-(3,4-dimethoxyphenyl)-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaen-9-yl]benzoate.
Chemical Property Profile of methyl 4-(7-(3,4-dimethoxyphenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzoate
Property Insights of methyl 4-(7-(3,4-dimethoxyphenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzoate
The XLogP value of 4.6418 indicates that methyl 4-(7-(3,4-dimethoxyphenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.73 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(7-(3,4-dimethoxyphenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(7-(3,4-dimethoxyphenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzoate has 1 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 4-(7-(3,4-dimethoxyphenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzoate?
The CAS number of methyl 4-(7-(3,4-dimethoxyphenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzoate is 877790-54-0.
What is the molecular formula of methyl 4-(7-(3,4-dimethoxyphenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzoate?
The molecular formula of methyl 4-(7-(3,4-dimethoxyphenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzoate is C28H24N4O5.
What is the molecular weight of methyl 4-(7-(3,4-dimethoxyphenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzoate?
The molecular weight of methyl 4-(7-(3,4-dimethoxyphenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzoate is 496.17 g/mol.
Where can I buy methyl 4-(7-(3,4-dimethoxyphenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzoate?
You can request a quote for methyl 4-(7-(3,4-dimethoxyphenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(7-(3,4-dimethoxyphenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(7-(3,4-dimethoxyphenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.