3H-946
TL;DR: 3H-946 (CAS 338410-22-3) is a chemical compound with molecular formula C23H28N4O5 and molecular weight 440.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[2-(1-benzylpiperidin-4-ylidene)hydrazinyl]-6-oxo-1H-pyridine-3,5-dicarboxylate
Also Known As: 3H-946, diethyl 2-[2-(1-benzyl-4-piperidinylidene)hydrazino]-6-hydroxy-3,5-pyridinedicarboxylate, diethyl 2-[2-(1-benzylpiperidin-4-ylidene)hydrazinyl]-6-oxo-1H-pyridine-3,5-dicarboxylate, 3,5-diethyl 2-[2-(1-benzylpiperidin-4-ylidene)hydrazin-1-yl]-6-hydroxypyridine-3,5-dicarboxylate, Diethyl 2-[2-(1-benzyl-4-piperidylidene)hydrazinyl]-6-oxo-1H-pyridine-3,5-dicarboxylate
| Molecular Formula | C23H28N4O5 |
|---|---|
| Molecular Weight | 440.21 g/mol |
| LogP | 2.7922 |
| Topological Polar Surface Area | 113.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 440.20596 |
| Heavy Atoms | 32 |
| Complexity | 1022.4274 |
Chemical Identifiers
| CAS Number | 338410-22-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(NC1=O)NN=C2CCN(CC2)CC3=CC=CC=C3)C(=O)OCC |
Product Overview
3H-946 (CAS 338410-22-3), with molecular formula C23H28N4O5 and molecular weight 440.21 g/mol. IUPAC: diethyl 2-[2-(1-benzylpiperidin-4-ylidene)hydrazinyl]-6-oxo-1H-pyridine-3,5-dicarboxylate.
Chemical Property Profile of 3H-946
Property Insights of 3H-946
The XLogP value of 2.7922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-946. The TPSA of 113.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-946. Following Lipinski's Rule of Five, 3H-946 has 2 hydrogen bond donor(s) and 8 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 3H-946?
The CAS number of 3H-946 is 338410-22-3.
What is the molecular formula of 3H-946?
The molecular formula of 3H-946 is C23H28N4O5.
What is the molecular weight of 3H-946?
The molecular weight of 3H-946 is 440.21 g/mol.
Where can I buy 3H-946?
You can request a quote for 3H-946 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-946?
Yes, KEHONG BIO provides custom synthesis services for 3H-946 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.