GYKI-12743 Free
TL;DR: GYKI-12743 Free (CAS 110696-42-9) is a chemical compound with molecular formula C16H19N3O3 and molecular weight 301.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propyl]pyridazin-3-one
Also Known As: GYKI-12743 Free, 3(2H)-Pyridazinone, 2-[3-[[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino]propyl]-, 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propyl]pyridazin-3-one, 2-[3-[[(1,4-Benzodioxan-2-yl)methyl]amino]propyl]pyridazin-3(2H)-one, 2-(3-{[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino}propyl)-2,3-dihydropyridazin-3-one
| Molecular Formula | C16H19N3O3 |
|---|---|
| Molecular Weight | 301.14 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.14264 |
| Heavy Atoms | 22 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 110696-42-9 |
|---|---|
| SMILES | C1C(OC2=CC=CC=C2O1)CNCCCN3C(=O)C=CC=N3 |
| InChIKey | FJNRJBQUOQLUNQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
GYKI-12743 Free (CAS 110696-42-9), with molecular formula C16H19N3O3 and molecular weight 301.14 g/mol. IUPAC: 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propyl]pyridazin-3-one.
Chemical Property Profile of GYKI-12743 Free
Property Insights of GYKI-12743 Free
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for GYKI-12743 Free. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for GYKI-12743 Free. Following Lipinski's Rule of Five, GYKI-12743 Free 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 GYKI-12743 Free?
The CAS number of GYKI-12743 Free is 110696-42-9.
What is the molecular formula of GYKI-12743 Free?
The molecular formula of GYKI-12743 Free is C16H19N3O3.
What is the molecular weight of GYKI-12743 Free?
The molecular weight of GYKI-12743 Free is 301.14 g/mol.
Where can I buy GYKI-12743 Free?
You can request a quote for GYKI-12743 Free directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for GYKI-12743 Free?
Yes, KEHONG BIO provides custom synthesis services for GYKI-12743 Free and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.