![6-benzyl-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-4,6-dihydropyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidin-5(1H)-imine structure](/static/products/844/844654-64-4.png)
6-benzyl-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-4,6-dihydropyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidin-5(1H)-imine
TL;DR: 6-benzyl-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-4,6-dihydropyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidin-5(1H)-imine (CAS 844654-64-4) is a chemical compound with molecular formula C30H27N5O3 and molecular weight 505.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-benzyl-8-(3,4-dimethoxyphenyl)-6-methyl-4-phenyl-2-oxa-4,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,12-tetraen-10-imine
Also Known As: 6-benzyl-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-4,6-dihydropyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidin-5(1H)-imine
| Molecular Formula | C30H27N5O3 |
|---|---|
| Molecular Weight | 505.21 g/mol |
| LogP | 5.20809 |
| Topological Polar Surface Area | 87.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 505.2114 |
| Heavy Atoms | 38 |
| Complexity | 1676.2122 |
Chemical Identifiers
| CAS Number | 844654-64-4 |
|---|---|
| SMILES | CC1=NN(C2=C1C(C3=C(O2)N=CN(C3=N)CC4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC)C6=CC=CC=C6 |
Product Overview
6-benzyl-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-4,6-dihydropyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidin-5(1H)-imine (CAS 844654-64-4), with molecular formula C30H27N5O3 and molecular weight 505.21 g/mol. IUPAC: 11-benzyl-8-(3,4-dimethoxyphenyl)-6-methyl-4-phenyl-2-oxa-4,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,12-tetraen-10-imine.
Chemical Property Profile of 6-benzyl-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-4,6-dihydropyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidin-5(1H)-imine
Property Insights of 6-benzyl-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-4,6-dihydropyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidin-5(1H)-imine
The XLogP value of 5.20809 indicates that 6-benzyl-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-4,6-dihydropyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidin-5(1H)-imine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-benzyl-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-4,6-dihydropyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidin-5(1H)-imine. Following Lipinski's Rule of Five, 6-benzyl-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-4,6-dihydropyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidin-5(1H)-imine has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-benzyl-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-4,6-dihydropyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidin-5(1H)-imine?
The CAS number of 6-benzyl-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-4,6-dihydropyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidin-5(1H)-imine is 844654-64-4.
What is the molecular formula of 6-benzyl-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-4,6-dihydropyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidin-5(1H)-imine?
The molecular formula of 6-benzyl-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-4,6-dihydropyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidin-5(1H)-imine is C30H27N5O3.
What is the molecular weight of 6-benzyl-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-4,6-dihydropyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidin-5(1H)-imine?
The molecular weight of 6-benzyl-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-4,6-dihydropyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidin-5(1H)-imine is 505.21 g/mol.
Where can I buy 6-benzyl-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-4,6-dihydropyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidin-5(1H)-imine?
You can request a quote for 6-benzyl-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-4,6-dihydropyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidin-5(1H)-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-benzyl-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-4,6-dihydropyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidin-5(1H)-imine?
Yes, KEHONG BIO provides custom synthesis services for 6-benzyl-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-4,6-dihydropyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidin-5(1H)-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.