RefChem:240121
TL;DR: RefChem:240121 (CAS 69405-19-2) is a chemical compound with molecular formula C16H21N3O3 and molecular weight 303.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-ethoxyphenyl)-2,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,5]triazepine-1,5-dione
Also Known As: 3-(4-Ethoxyphenyl)hexahydro-1H-pyridazino[1,2-a][1,2,5]triazepine-1,5(2H)-dione, 1H-Pyridazino(1,2-a)(1,2,5)triazepine-1,5(2H)-dione, hexahydro-3-(4-ethoxyphenyl)-, 4-tert-butyldimethylsilanyloxy-3-methoxybenzaldehyde, 3-(4-Ethoxyphenyl)-hexahydro-1H-pyridazino(1,2-a)(1,2,5)triazepine-1,5(2H)-dione, Hexahydro-3-(4-ethoxyphenyl)-1H-pyridazino(1,2-a)(1,2,5)triazepine-1,5(2H)-dione
| Molecular Formula | C16H21N3O3 |
|---|---|
| Molecular Weight | 303.16 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.1583 |
| Heavy Atoms | 22 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 69405-19-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2CC(=O)N3CCCCN3C(=O)C2 |
| InChIKey | WMLTZALCDCHHQC-UHFFFAOYSA-N |
Product Overview
RefChem:240121 (CAS 69405-19-2), with molecular formula C16H21N3O3 and molecular weight 303.16 g/mol. IUPAC: 3-(4-ethoxyphenyl)-2,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,5]triazepine-1,5-dione.
Chemical Property Profile of RefChem:240121
Property Insights of RefChem:240121
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:240121. With a topological polar surface area (TPSA) of 53.1 Ų, RefChem:240121 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:240121 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 RefChem:240121?
The CAS number of RefChem:240121 is 69405-19-2.
What is the molecular formula of RefChem:240121?
The molecular formula of RefChem:240121 is C16H21N3O3.
What is the molecular weight of RefChem:240121?
The molecular weight of RefChem:240121 is 303.16 g/mol.
Where can I buy RefChem:240121?
You can request a quote for RefChem:240121 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:240121?
Yes, KEHONG BIO provides custom synthesis services for RefChem:240121 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.