RefChem:215099
TL;DR: RefChem:215099 (CAS 124556-77-0) is a chemical compound with molecular formula C22H22Cl2N6O and molecular weight 456.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[3,4-a]phthalazin-3-one
Also Known As: 1,2,4-Triazolo(3,4-a)phthalazin-3(2H)-one, 8-chloro-2-(3-(4-(3-chlorophenyl)-1-piperazinyl)-propyl)-, 8-chloro-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[3,4-a]phthalazin-3-one, 8-Chloro-2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}[1,2,4]triazolo[3,4-a]phthalazin-3(2H)-one, RefChem:215099
| Molecular Formula | C22H22Cl2N6O |
|---|---|
| Molecular Weight | 456.12 g/mol |
| LogP | 3.5633 |
| Topological Polar Surface Area | 58.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.1232 |
| Heavy Atoms | 31 |
| Complexity | 1292.389 |
Chemical Identifiers
| CAS Number | 124556-77-0 |
|---|---|
| SMILES | C1CN(CCN1CCCN2C(=O)N3C(=N2)C4=C(C=C(C=C4)Cl)C=N3)C5=CC(=CC=C5)Cl |
Product Overview
RefChem:215099 (CAS 124556-77-0), with molecular formula C22H22Cl2N6O and molecular weight 456.12 g/mol. IUPAC: 8-chloro-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[3,4-a]phthalazin-3-one.
Chemical Property Profile of RefChem:215099
Property Insights of RefChem:215099
The XLogP value of 3.5633 indicates that RefChem:215099 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.67 Ų, RefChem:215099 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:215099 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 RefChem:215099?
The CAS number of RefChem:215099 is 124556-77-0.
What is the molecular formula of RefChem:215099?
The molecular formula of RefChem:215099 is C22H22Cl2N6O.
What is the molecular weight of RefChem:215099?
The molecular weight of RefChem:215099 is 456.12 g/mol.
Where can I buy RefChem:215099?
You can request a quote for RefChem:215099 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:215099?
Yes, KEHONG BIO provides custom synthesis services for RefChem:215099 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.