4-chloro-N-(4-nitrophenyl)phthalazin-1-amine
TL;DR: 4-chloro-N-(4-nitrophenyl)phthalazin-1-amine (CAS 404847-70-7) is a chemical compound with molecular formula C14H9ClN4O2 and molecular weight 300.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(4-nitrophenyl)phthalazin-1-amine
Also Known As: 4-chloro-N-(4-nitrophenyl)phthalazin-1-amine
| Molecular Formula | C14H9ClN4O2 |
|---|---|
| Molecular Weight | 300.04 g/mol |
| LogP | 3.935 |
| Topological Polar Surface Area | 80.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.0414 |
| Heavy Atoms | 21 |
| Complexity | 820.8219 |
Chemical Identifiers
| CAS Number | 404847-70-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NN=C2Cl)NC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4-chloro-N-(4-nitrophenyl)phthalazin-1-amine (CAS 404847-70-7), with molecular formula C14H9ClN4O2 and molecular weight 300.04 g/mol. IUPAC: 4-chloro-N-(4-nitrophenyl)phthalazin-1-amine.
Chemical Property Profile of 4-chloro-N-(4-nitrophenyl)phthalazin-1-amine
Property Insights of 4-chloro-N-(4-nitrophenyl)phthalazin-1-amine
The XLogP value of 3.935 indicates that 4-chloro-N-(4-nitrophenyl)phthalazin-1-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-N-(4-nitrophenyl)phthalazin-1-amine. Following Lipinski's Rule of Five, 4-chloro-N-(4-nitrophenyl)phthalazin-1-amine 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 4-chloro-N-(4-nitrophenyl)phthalazin-1-amine?
The CAS number of 4-chloro-N-(4-nitrophenyl)phthalazin-1-amine is 404847-70-7.
What is the molecular formula of 4-chloro-N-(4-nitrophenyl)phthalazin-1-amine?
The molecular formula of 4-chloro-N-(4-nitrophenyl)phthalazin-1-amine is C14H9ClN4O2.
What is the molecular weight of 4-chloro-N-(4-nitrophenyl)phthalazin-1-amine?
The molecular weight of 4-chloro-N-(4-nitrophenyl)phthalazin-1-amine is 300.04 g/mol.
Where can I buy 4-chloro-N-(4-nitrophenyl)phthalazin-1-amine?
You can request a quote for 4-chloro-N-(4-nitrophenyl)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 4-chloro-N-(4-nitrophenyl)phthalazin-1-amine?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-(4-nitrophenyl)phthalazin-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.