1,2,4-Triazolo(3,4-a)phthalazine, 3-(3-bromo-4,5-dimethoxyphenyl)-6-(1-pyrrolidinyl)-
TL;DR: 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3-bromo-4,5-dimethoxyphenyl)-6-(1-pyrrolidinyl)- (CAS 87540-18-9) is a chemical compound with molecular formula C21H20BrN5O2 and molecular weight 453.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-bromo-4,5-dimethoxyphenyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine
Also Known As: 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3-bromo-4,5-dimethoxyphenyl)-6-(1-pyrrolidinyl)-, 3-(3-Bromo-4,5-dimethoxyphenyl)-6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazine, 3-(3-Bromo-4,5-dimethoxyphenyl)-6-(pyrrolidin-1-yl)-[1,2,4]triazolo[3,4-a]phthalazine, 3-(3-bromo-4,5-dimethoxyphenyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine, 3-(3-Bromo-4,5-dimethoxyphenyl)-6-(pyrrolidin-1-yl)[1,2,4]triazolo[3,4-a]phthalazine
| Molecular Formula | C21H20BrN5O2 |
|---|---|
| Molecular Weight | 453.08 g/mol |
| LogP | 4.3244 |
| Topological Polar Surface Area | 64.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.08005 |
| Heavy Atoms | 29 |
| Complexity | 1216.8684 |
Chemical Identifiers
| CAS Number | 87540-18-9 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)N5CCCC5)Br)OC |
Product Overview
1,2,4-Triazolo(3,4-a)phthalazine, 3-(3-bromo-4,5-dimethoxyphenyl)-6-(1-pyrrolidinyl)- (CAS 87540-18-9), with molecular formula C21H20BrN5O2 and molecular weight 453.08 g/mol. IUPAC: 3-(3-bromo-4,5-dimethoxyphenyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine.
Chemical Property Profile of 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3-bromo-4,5-dimethoxyphenyl)-6-(1-pyrrolidinyl)-
Property Insights of 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3-bromo-4,5-dimethoxyphenyl)-6-(1-pyrrolidinyl)-
The XLogP value of 4.3244 indicates that 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3-bromo-4,5-dimethoxyphenyl)-6-(1-pyrrolidinyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3-bromo-4,5-dimethoxyphenyl)-6-(1-pyrrolidinyl)-. Following Lipinski's Rule of Five, 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3-bromo-4,5-dimethoxyphenyl)-6-(1-pyrrolidinyl)- has 0 hydrogen bond donor(s) and 6 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 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3-bromo-4,5-dimethoxyphenyl)-6-(1-pyrrolidinyl)-?
The CAS number of 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3-bromo-4,5-dimethoxyphenyl)-6-(1-pyrrolidinyl)- is 87540-18-9.
What is the molecular formula of 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3-bromo-4,5-dimethoxyphenyl)-6-(1-pyrrolidinyl)-?
The molecular formula of 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3-bromo-4,5-dimethoxyphenyl)-6-(1-pyrrolidinyl)- is C21H20BrN5O2.
What is the molecular weight of 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3-bromo-4,5-dimethoxyphenyl)-6-(1-pyrrolidinyl)-?
The molecular weight of 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3-bromo-4,5-dimethoxyphenyl)-6-(1-pyrrolidinyl)- is 453.08 g/mol.
Where can I buy 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3-bromo-4,5-dimethoxyphenyl)-6-(1-pyrrolidinyl)-?
You can request a quote for 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3-bromo-4,5-dimethoxyphenyl)-6-(1-pyrrolidinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3-bromo-4,5-dimethoxyphenyl)-6-(1-pyrrolidinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3-bromo-4,5-dimethoxyphenyl)-6-(1-pyrrolidinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.