![14-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine structure](/static/products/846/846596-32-5.png)
14-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
TL;DR: 14-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine (CAS 846596-32-5) is a chemical compound with molecular formula C30H21FN4O3 and molecular weight 504.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)-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-(4-fluorophenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C30H21FN4O3 |
|---|---|
| Molecular Weight | 504.16 g/mol |
| LogP | 6.3867 |
| Topological Polar Surface Area | 70.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 504.15976 |
| Heavy Atoms | 38 |
| Complexity | 1849.4336 |
Chemical Identifiers
| CAS Number | 846596-32-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C3=C(C4=CC=CC=C4C=C3)OC5=C2C6=NC(=NN6C=N5)C7=CC=C(C=C7)F)OC |
Product Overview
14-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine (CAS 846596-32-5), with molecular formula C30H21FN4O3 and molecular weight 504.16 g/mol. IUPAC: 2-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)-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-(4-fluorophenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Property Insights of 14-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
The XLogP value of 6.3867 indicates that 14-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-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 70.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 14-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-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-(4-fluorophenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine has 0 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 14-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-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-(4-fluorophenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is 846596-32-5.
What is the molecular formula of 14-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-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-(4-fluorophenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is C30H21FN4O3.
What is the molecular weight of 14-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-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-(4-fluorophenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is 504.16 g/mol.
Where can I buy 14-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-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.