N-(1,3-benzodioxol-5-yl)-4-methyl-1-phthalazinamine
TL;DR: N-(1,3-benzodioxol-5-yl)-4-methyl-1-phthalazinamine (CAS 442648-76-2) is a chemical compound with molecular formula C16H13N3O2 and molecular weight 279.10 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-methylphthalazin-1-amine
Also Known As: N-(1,3-benzodioxol-5-yl)-4-methylphthalazin-1-amine, BAS 04375881, N-(1,3-benzodioxol-5-yl)-4-methyl-1-phthalazinamine, N-1,3-benzodioxol-5-yl-4-methyl-1-phthalazinamine, Benzo[1,3]dioxol-5-yl-(4-methyl-phthalazin-1-yl)-amine
| Molecular Formula | C16H13N3O2 |
|---|---|
| Molecular Weight | 279.10 g/mol |
| LogP | 3.41052 |
| Topological Polar Surface Area | 56.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.10077 |
| Heavy Atoms | 21 |
| Complexity | 832.86505 |
Chemical Identifiers
| CAS Number | 442648-76-2 |
|---|---|
| SMILES | CC1=NN=C(C2=CC=CC=C12)NC3=CC4=C(C=C3)OCO4 |
Product Overview
N-(1,3-benzodioxol-5-yl)-4-methyl-1-phthalazinamine (CAS 442648-76-2), with molecular formula C16H13N3O2 and molecular weight 279.10 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-4-methylphthalazin-1-amine.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-4-methyl-1-phthalazinamine
Property Insights of N-(1,3-benzodioxol-5-yl)-4-methyl-1-phthalazinamine
The XLogP value of 3.41052 indicates that N-(1,3-benzodioxol-5-yl)-4-methyl-1-phthalazinamine 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-methyl-1-phthalazinamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-4-methyl-1-phthalazinamine has 1 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 N-(1,3-benzodioxol-5-yl)-4-methyl-1-phthalazinamine?
The CAS number of N-(1,3-benzodioxol-5-yl)-4-methyl-1-phthalazinamine is 442648-76-2.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-4-methyl-1-phthalazinamine?
The molecular formula of N-(1,3-benzodioxol-5-yl)-4-methyl-1-phthalazinamine is C16H13N3O2.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-4-methyl-1-phthalazinamine?
The molecular weight of N-(1,3-benzodioxol-5-yl)-4-methyl-1-phthalazinamine is 279.10 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-4-methyl-1-phthalazinamine?
You can request a quote for N-(1,3-benzodioxol-5-yl)-4-methyl-1-phthalazinamine 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-methyl-1-phthalazinamine?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-4-methyl-1-phthalazinamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.