3H-940
TL;DR: 3H-940 (CAS 338410-18-7) is a chemical compound with molecular formula C22H25N5O7 and molecular weight 471.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[2-[1-(4-nitrophenyl)piperidin-4-ylidene]hydrazinyl]-6-oxo-1H-pyridine-3,5-dicarboxylate
Also Known As: 3H-940, diethyl 2-hydroxy-6-{2-[1-(4-nitrophenyl)-4-piperidinylidene]hydrazino}-3,5-pyridinedicarboxylate, diethyl 2-[2-[1-(4-nitrophenyl)piperidin-4-ylidene]hydrazinyl]-6-oxo-1H-pyridine-3,5-dicarboxylate, 3,5-diethyl 2-hydroxy-6-{2-[1-(4-nitrophenyl)piperidin-4-ylidene]hydrazin-1-yl}pyridine-3,5-dicarboxylate, 3,5-diethyl2-hydroxy-6-{2-[1-(4-nitrophenyl)piperidin-4-ylidene]hydrazin-1-yl}pyridine-3,5-dicarboxylate
| Molecular Formula | C22H25N5O7 |
|---|---|
| Molecular Weight | 471.18 g/mol |
| LogP | 2.7048 |
| Topological Polar Surface Area | 156.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 471.17538 |
| Heavy Atoms | 34 |
| Complexity | 1147.2236 |
Chemical Identifiers
| CAS Number | 338410-18-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(NC1=O)NN=C2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC |
Product Overview
3H-940 (CAS 338410-18-7), with molecular formula C22H25N5O7 and molecular weight 471.18 g/mol. IUPAC: diethyl 2-[2-[1-(4-nitrophenyl)piperidin-4-ylidene]hydrazinyl]-6-oxo-1H-pyridine-3,5-dicarboxylate.
Chemical Property Profile of 3H-940
Property Insights of 3H-940
The XLogP value of 2.7048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-940. The TPSA of 156.23 Ų indicates high polarity, suggesting 3H-940 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3H-940 has 2 hydrogen bond donor(s) and 10 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-940?
The CAS number of 3H-940 is 338410-18-7.
What is the molecular formula of 3H-940?
The molecular formula of 3H-940 is C22H25N5O7.
What is the molecular weight of 3H-940?
The molecular weight of 3H-940 is 471.18 g/mol.
Where can I buy 3H-940?
You can request a quote for 3H-940 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-940?
Yes, KEHONG BIO provides custom synthesis services for 3H-940 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.