1,2,4-Triazolo(3,4-a)phthalazine, 3-(3,5-dibromo-2-ethoxyphenyl)-6-(1-pyrrolidinyl)-
TL;DR: 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3,5-dibromo-2-ethoxyphenyl)-6-(1-pyrrolidinyl)- (CAS 87540-17-8) is a chemical compound with molecular formula C21H19Br2N5O and molecular weight 515.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,5-dibromo-2-ethoxyphenyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine
Also Known As: 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3,5-dibromo-2-ethoxyphenyl)-6-(1-pyrrolidinyl)-, 3-(3,5-Dibromo-2-ethoxyphenyl)-6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazine, 3-(3,5-dibromo-2-ethoxyphenyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine, 3-(3,5-Dibromo-2-ethoxyphenyl)-6-(pyrrolidin-1-yl)-[1,2,4]triazolo[3,4-a]phthalazine, 3-(3,5-Dibromo-2-ethoxyphenyl)-6-(pyrrolidin-1-yl)[1,2,4]triazolo[3,4-a]phthalazine
| Molecular Formula | C21H19Br2N5O |
|---|---|
| Molecular Weight | 515.00 g/mol |
| LogP | 5.4684 |
| Topological Polar Surface Area | 55.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 514.99567 |
| Heavy Atoms | 29 |
| Complexity | 1216.8684 |
Chemical Identifiers
| CAS Number | 87540-17-8 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1Br)Br)C2=NN=C3N2N=C(C4=CC=CC=C43)N5CCCC5 |
Product Overview
1,2,4-Triazolo(3,4-a)phthalazine, 3-(3,5-dibromo-2-ethoxyphenyl)-6-(1-pyrrolidinyl)- (CAS 87540-17-8), with molecular formula C21H19Br2N5O and molecular weight 515.00 g/mol. IUPAC: 3-(3,5-dibromo-2-ethoxyphenyl)-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-(3,5-dibromo-2-ethoxyphenyl)-6-(1-pyrrolidinyl)-
Property Insights of 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3,5-dibromo-2-ethoxyphenyl)-6-(1-pyrrolidinyl)-
The XLogP value of 5.4684 indicates that 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3,5-dibromo-2-ethoxyphenyl)-6-(1-pyrrolidinyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.55 Ų, 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3,5-dibromo-2-ethoxyphenyl)-6-(1-pyrrolidinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3,5-dibromo-2-ethoxyphenyl)-6-(1-pyrrolidinyl)- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3,5-dibromo-2-ethoxyphenyl)-6-(1-pyrrolidinyl)-?
The CAS number of 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3,5-dibromo-2-ethoxyphenyl)-6-(1-pyrrolidinyl)- is 87540-17-8.
What is the molecular formula of 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3,5-dibromo-2-ethoxyphenyl)-6-(1-pyrrolidinyl)-?
The molecular formula of 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3,5-dibromo-2-ethoxyphenyl)-6-(1-pyrrolidinyl)- is C21H19Br2N5O.
What is the molecular weight of 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3,5-dibromo-2-ethoxyphenyl)-6-(1-pyrrolidinyl)-?
The molecular weight of 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3,5-dibromo-2-ethoxyphenyl)-6-(1-pyrrolidinyl)- is 515.00 g/mol.
Where can I buy 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3,5-dibromo-2-ethoxyphenyl)-6-(1-pyrrolidinyl)-?
You can request a quote for 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3,5-dibromo-2-ethoxyphenyl)-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-(3,5-dibromo-2-ethoxyphenyl)-6-(1-pyrrolidinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazolo(3,4-a)phthalazine, 3-(3,5-dibromo-2-ethoxyphenyl)-6-(1-pyrrolidinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.