J2Qml6zst8
TL;DR: J2Qml6zst8 (CAS 504397-20-0) is a chemical compound with molecular formula C18H23N5O3 and molecular weight 357.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylamino]-1H-pyridazin-6-one
Also Known As: EGIS-11004 free base, 3(2H)-Pyridazinone, 5-((2-(4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl)ethyl)amino)-, 5-((2-(4-(2,3-Dihydro(1,4)benzodioxin-5-yl)piperazin-1-yl)ethyl)amino)-2H-pyridazin-3-one
| Molecular Formula | C18H23N5O3 |
|---|---|
| Molecular Weight | 357.18 g/mol |
| LogP | 0.7752 |
| Topological Polar Surface Area | 82.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.18008 |
| Heavy Atoms | 26 |
| Complexity | 801.40875 |
Chemical Identifiers
| CAS Number | 504397-20-0 |
|---|---|
| SMILES | C1CN(CCN1CCNC2=CC(=O)NN=C2)C3=C4C(=CC=C3)OCCO4 |
Product Overview
J2Qml6zst8 (CAS 504397-20-0), with molecular formula C18H23N5O3 and molecular weight 357.18 g/mol. IUPAC: 4-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylamino]-1H-pyridazin-6-one.
Chemical Property Profile of J2Qml6zst8
Property Insights of J2Qml6zst8
The XLogP value of 0.7752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J2Qml6zst8. The TPSA of 82.72 Ų falls within the moderate polarity range, balancing permeability and solubility for J2Qml6zst8. Following Lipinski's Rule of Five, J2Qml6zst8 has 2 hydrogen bond donor(s) and 7 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 J2Qml6zst8?
The CAS number of J2Qml6zst8 is 504397-20-0.
What is the molecular formula of J2Qml6zst8?
The molecular formula of J2Qml6zst8 is C18H23N5O3.
What is the molecular weight of J2Qml6zst8?
The molecular weight of J2Qml6zst8 is 357.18 g/mol.
Where can I buy J2Qml6zst8?
You can request a quote for J2Qml6zst8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J2Qml6zst8?
Yes, KEHONG BIO provides custom synthesis services for J2Qml6zst8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.