ChemDiv2_004732
TL;DR: ChemDiv2_004732 (CAS 847855-79-2) is a chemical compound with molecular formula C23H25N3O3 and molecular weight 391.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]phthalazin-1-one
Also Known As: ChemDiv2_004732, IDI1_003447, 2-methyl-4-(4-(2-(4-methylpiperidin-1-yl)-2-oxoethoxy)phenyl)phthalazin-1(2H)-one, 2-methyl-4-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]phthalazin-1-one, 2-methyl-4-{4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl}phthalazin-1(2H)-one
| Molecular Formula | C23H25N3O3 |
|---|---|
| Molecular Weight | 391.19 g/mol |
| LogP | 3.2378 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.1896 |
| Heavy Atoms | 29 |
| Complexity | 1080.7135 |
Chemical Identifiers
| CAS Number | 847855-79-2 |
|---|---|
| SMILES | CC1CCN(CC1)C(=O)COC2=CC=C(C=C2)C3=NN(C(=O)C4=CC=CC=C43)C |
Product Overview
ChemDiv2_004732 (CAS 847855-79-2), with molecular formula C23H25N3O3 and molecular weight 391.19 g/mol. IUPAC: 2-methyl-4-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]phthalazin-1-one.
Chemical Property Profile of ChemDiv2_004732
Property Insights of ChemDiv2_004732
The XLogP value of 3.2378 indicates that ChemDiv2_004732 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004732. Following Lipinski's Rule of Five, ChemDiv2_004732 has 0 hydrogen bond donor(s) and 4 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 ChemDiv2_004732?
The CAS number of ChemDiv2_004732 is 847855-79-2.
What is the molecular formula of ChemDiv2_004732?
The molecular formula of ChemDiv2_004732 is C23H25N3O3.
What is the molecular weight of ChemDiv2_004732?
The molecular weight of ChemDiv2_004732 is 391.19 g/mol.
Where can I buy ChemDiv2_004732?
You can request a quote for ChemDiv2_004732 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004732?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004732 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.