2-(4-chloro-2-nitro-5-(pyrrolidin-1-yl)phenyl)-4-methylphthalazin-1(2H)-one
TL;DR: 2-(4-chloro-2-nitro-5-(pyrrolidin-1-yl)phenyl)-4-methylphthalazin-1(2H)-one (CAS 895844-56-1) is a chemical compound with molecular formula C19H17ClN4O3 and molecular weight 384.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-2-nitro-5-pyrrolidin-1-ylphenyl)-4-methylphthalazin-1-one
Also Known As: 2-(4-chloro-2-nitro-5-(pyrrolidin-1-yl)phenyl)-4-methylphthalazin-1(2H)-one, 2-(4-chloro-2-nitro-5-pyrrolidin-1-ylphenyl)-4-methylphthalazin-1-one, 2-[4-chloro-2-nitro-5-(pyrrolidin-1-yl)phenyl]-4-methylphthalazin-1(2H)-one
| Molecular Formula | C19H17ClN4O3 |
|---|---|
| Molecular Weight | 384.10 g/mol |
| LogP | 3.85592 |
| Topological Polar Surface Area | 81.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.0989 |
| Heavy Atoms | 27 |
| Complexity | 1119.8733 |
Chemical Identifiers
| CAS Number | 895844-56-1 |
|---|---|
| SMILES | CC1=NN(C(=O)C2=CC=CC=C12)C3=CC(=C(C=C3[N+](=O)[O-])Cl)N4CCCC4 |
Product Overview
2-(4-chloro-2-nitro-5-(pyrrolidin-1-yl)phenyl)-4-methylphthalazin-1(2H)-one (CAS 895844-56-1), with molecular formula C19H17ClN4O3 and molecular weight 384.10 g/mol. IUPAC: 2-(4-chloro-2-nitro-5-pyrrolidin-1-ylphenyl)-4-methylphthalazin-1-one.
Chemical Property Profile of 2-(4-chloro-2-nitro-5-(pyrrolidin-1-yl)phenyl)-4-methylphthalazin-1(2H)-one
Property Insights of 2-(4-chloro-2-nitro-5-(pyrrolidin-1-yl)phenyl)-4-methylphthalazin-1(2H)-one
The XLogP value of 3.85592 indicates that 2-(4-chloro-2-nitro-5-(pyrrolidin-1-yl)phenyl)-4-methylphthalazin-1(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-chloro-2-nitro-5-(pyrrolidin-1-yl)phenyl)-4-methylphthalazin-1(2H)-one. Following Lipinski's Rule of Five, 2-(4-chloro-2-nitro-5-(pyrrolidin-1-yl)phenyl)-4-methylphthalazin-1(2H)-one 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 2-(4-chloro-2-nitro-5-(pyrrolidin-1-yl)phenyl)-4-methylphthalazin-1(2H)-one?
The CAS number of 2-(4-chloro-2-nitro-5-(pyrrolidin-1-yl)phenyl)-4-methylphthalazin-1(2H)-one is 895844-56-1.
What is the molecular formula of 2-(4-chloro-2-nitro-5-(pyrrolidin-1-yl)phenyl)-4-methylphthalazin-1(2H)-one?
The molecular formula of 2-(4-chloro-2-nitro-5-(pyrrolidin-1-yl)phenyl)-4-methylphthalazin-1(2H)-one is C19H17ClN4O3.
What is the molecular weight of 2-(4-chloro-2-nitro-5-(pyrrolidin-1-yl)phenyl)-4-methylphthalazin-1(2H)-one?
The molecular weight of 2-(4-chloro-2-nitro-5-(pyrrolidin-1-yl)phenyl)-4-methylphthalazin-1(2H)-one is 384.10 g/mol.
Where can I buy 2-(4-chloro-2-nitro-5-(pyrrolidin-1-yl)phenyl)-4-methylphthalazin-1(2H)-one?
You can request a quote for 2-(4-chloro-2-nitro-5-(pyrrolidin-1-yl)phenyl)-4-methylphthalazin-1(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-chloro-2-nitro-5-(pyrrolidin-1-yl)phenyl)-4-methylphthalazin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chloro-2-nitro-5-(pyrrolidin-1-yl)phenyl)-4-methylphthalazin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.