N-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)phthalazin-1-amine
TL;DR: N-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)phthalazin-1-amine (CAS 442648-80-8) is a chemical compound with molecular formula C21H14ClN3O2 and molecular weight 375.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)phthalazin-1-amine
Also Known As: N-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)phthalazin-1-amine, N-(2H-1,3-BENZODIOXOL-5-YL)-4-(4-CHLOROPHENYL)PHTHALAZIN-1-AMINE, N-(benzo[d][1,3]dioxol-5-yl)-4-(4-chlorophenyl)phthalazin-1-amine, N-[(1Z)-4-(4-chlorophenyl)phthalazin-1(2H)-ylidene]-1,3-benzodioxol-5-amine
| Molecular Formula | C21H14ClN3O2 |
|---|---|
| Molecular Weight | 375.08 g/mol |
| LogP | 5.4225 |
| Topological Polar Surface Area | 56.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.07745 |
| Heavy Atoms | 27 |
| Complexity | 1145.9454 |
Chemical Identifiers
| CAS Number | 442648-80-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)Cl |
Product Overview
N-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)phthalazin-1-amine (CAS 442648-80-8), with molecular formula C21H14ClN3O2 and molecular weight 375.08 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)phthalazin-1-amine.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)phthalazin-1-amine
Property Insights of N-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)phthalazin-1-amine
The XLogP value of 5.4225 indicates that N-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)phthalazin-1-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.27 Ų, N-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)phthalazin-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)phthalazin-1-amine has 1 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 N-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)phthalazin-1-amine?
The CAS number of N-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)phthalazin-1-amine is 442648-80-8.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)phthalazin-1-amine?
The molecular formula of N-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)phthalazin-1-amine is C21H14ClN3O2.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)phthalazin-1-amine?
The molecular weight of N-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)phthalazin-1-amine is 375.08 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)phthalazin-1-amine?
You can request a quote for N-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)phthalazin-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)phthalazin-1-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)phthalazin-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.