![14-(3,4-dimethoxyphenyl)-2-[(2,3-dimethylphenoxy)methyl]-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine structure](/static/products/845/845902-07-0.png)
14-(3,4-dimethoxyphenyl)-2-[(2,3-dimethylphenoxy)methyl]-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
TL;DR: 14-(3,4-dimethoxyphenyl)-2-[(2,3-dimethylphenoxy)methyl]-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine (CAS 845902-07-0) is a chemical compound with molecular formula C33H28N4O4 and molecular weight 544.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethoxyphenyl)-6-[(2,3-dimethylphenoxy)methyl]-12-oxa-5,7,8,10-tetrazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4,6,9,14,16,18,20-nonaene
Also Known As: 14-(3,4-dimethoxyphenyl)-2-[(2,3-dimethylphenoxy)methyl]-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 14-(3,4-dimethoxyphenyl)-2-((2,3-dimethylphenoxy)methyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C33H28N4O4 |
|---|---|
| Molecular Weight | 544.21 g/mol |
| LogP | 6.77644 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 544.21106 |
| Heavy Atoms | 41 |
| Complexity | 1948.2402 |
Chemical Identifiers
| CAS Number | 845902-07-0 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)OCC2=NN3C=NC4=C(C3=N2)C(C5=C(O4)C6=CC=CC=C6C=C5)C7=CC(=C(C=C7)OC)OC)C |
Product Overview
14-(3,4-dimethoxyphenyl)-2-[(2,3-dimethylphenoxy)methyl]-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine (CAS 845902-07-0), with molecular formula C33H28N4O4 and molecular weight 544.21 g/mol. IUPAC: 2-(3,4-dimethoxyphenyl)-6-[(2,3-dimethylphenoxy)methyl]-12-oxa-5,7,8,10-tetrazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4,6,9,14,16,18,20-nonaene.
Chemical Property Profile of 14-(3,4-dimethoxyphenyl)-2-[(2,3-dimethylphenoxy)methyl]-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Property Insights of 14-(3,4-dimethoxyphenyl)-2-[(2,3-dimethylphenoxy)methyl]-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
The XLogP value of 6.77644 indicates that 14-(3,4-dimethoxyphenyl)-2-[(2,3-dimethylphenoxy)methyl]-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 14-(3,4-dimethoxyphenyl)-2-[(2,3-dimethylphenoxy)methyl]-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine. Following Lipinski's Rule of Five, 14-(3,4-dimethoxyphenyl)-2-[(2,3-dimethylphenoxy)methyl]-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 14-(3,4-dimethoxyphenyl)-2-[(2,3-dimethylphenoxy)methyl]-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
The CAS number of 14-(3,4-dimethoxyphenyl)-2-[(2,3-dimethylphenoxy)methyl]-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is 845902-07-0.
What is the molecular formula of 14-(3,4-dimethoxyphenyl)-2-[(2,3-dimethylphenoxy)methyl]-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
The molecular formula of 14-(3,4-dimethoxyphenyl)-2-[(2,3-dimethylphenoxy)methyl]-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is C33H28N4O4.
What is the molecular weight of 14-(3,4-dimethoxyphenyl)-2-[(2,3-dimethylphenoxy)methyl]-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
The molecular weight of 14-(3,4-dimethoxyphenyl)-2-[(2,3-dimethylphenoxy)methyl]-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is 544.21 g/mol.
Where can I buy 14-(3,4-dimethoxyphenyl)-2-[(2,3-dimethylphenoxy)methyl]-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
You can request a quote for 14-(3,4-dimethoxyphenyl)-2-[(2,3-dimethylphenoxy)methyl]-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 14-(3,4-dimethoxyphenyl)-2-[(2,3-dimethylphenoxy)methyl]-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 14-(3,4-dimethoxyphenyl)-2-[(2,3-dimethylphenoxy)methyl]-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.