Benzoic acid, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-
TL;DR: Benzoic acid, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)- (CAS 87540-32-7) is a chemical compound with molecular formula C20H17N5O2 and molecular weight 359.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(7-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzoic acid
Also Known As: BENZOIC ACID, 4-(6-(1-PYRROLIDINYL)-1,2,4-TRIAZOLO(3,4-a)PHTHALAZIN-3-YL)-, 4-(6-(1-Pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)benzoic acid, 4-(7-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzoic acid, 4-[7-(Pyrrolidin-1-yl)[1,2,4]triazolo[3,4-a]phthalazin-3-yl]benzoic acid, BRN 6443515
| Molecular Formula | C20H17N5O2 |
|---|---|
| Molecular Weight | 359.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.1382 |
| Heavy Atoms | 27 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 87540-32-7 |
|---|---|
| SMILES | C1CCN(C1)C2=CC=CC3=C2C=NN4C3=NN=C4C5=CC=C(C=C5)C(=O)O |
| InChIKey | LRDBDZUNGQUKAA-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)- (CAS 87540-32-7), with molecular formula C20H17N5O2 and molecular weight 359.14 g/mol. IUPAC: 4-(7-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzoic acid.
Chemical Property Profile of Benzoic acid, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-
Property Insights of Benzoic acid, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-. Following Lipinski's Rule of Five, Benzoic acid, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)- has 1 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 Benzoic acid, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-?
The CAS number of Benzoic acid, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)- is 87540-32-7.
What is the molecular formula of Benzoic acid, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-?
The molecular formula of Benzoic acid, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)- is C20H17N5O2.
What is the molecular weight of Benzoic acid, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-?
The molecular weight of Benzoic acid, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)- is 359.14 g/mol.
Where can I buy Benzoic acid, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-?
You can request a quote for Benzoic acid, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.