RefChem:322958
TL;DR: RefChem:322958 (CAS 87540-07-6) is a chemical compound with molecular formula C21H22N6 and molecular weight 358.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-4-(7-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)aniline
Also Known As: Benzenamine, N,N-dimethyl-4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-, N,N-Dimethyl-4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)benzenamine, N,N-dimethyl-4-(7-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)aniline, N,N-Dimethyl-4-[7-(pyrrolidin-1-yl)[1,2,4]triazolo[3,4-a]phthalazin-3-yl]aniline, BRN 6439517
| Molecular Formula | C21H22N6 |
|---|---|
| Molecular Weight | 358.19 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 49.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.19058 |
| Heavy Atoms | 27 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 87540-07-6 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2=NN=C3N2N=CC4=C3C=CC=C4N5CCCC5 |
| InChIKey | DDFCZWZNRGKDFH-UHFFFAOYSA-N |
Product Overview
RefChem:322958 (CAS 87540-07-6), with molecular formula C21H22N6 and molecular weight 358.19 g/mol. IUPAC: N,N-dimethyl-4-(7-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)aniline.
Chemical Property Profile of RefChem:322958
Property Insights of RefChem:322958
The XLogP value of 3.4 indicates that RefChem:322958 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.6 Ų, RefChem:322958 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:322958 has 0 hydrogen bond donor(s) and 5 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 RefChem:322958?
The CAS number of RefChem:322958 is 87540-07-6.
What is the molecular formula of RefChem:322958?
The molecular formula of RefChem:322958 is C21H22N6.
What is the molecular weight of RefChem:322958?
The molecular weight of RefChem:322958 is 358.19 g/mol.
Where can I buy RefChem:322958?
You can request a quote for RefChem:322958 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:322958?
Yes, KEHONG BIO provides custom synthesis services for RefChem:322958 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.