(E)-2-(azepan-1-yl)-N'-(3,4-dichlorophenyl)-2-oxoacetohydrazonoyl cyanide
TL;DR: (E)-2-(azepan-1-yl)-N'-(3,4-dichlorophenyl)-2-oxoacetohydrazonoyl cyanide (CAS 382633-85-4) is a chemical compound with molecular formula C15H16Cl2N4O and molecular weight 338.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1E)-2-(azepan-1-yl)-N-(3,4-dichloroanilino)-2-oxoethanimidoyl cyanide
Also Known As: (1E)-2-(azepan-1-yl)-N-(3,4-dichloroanilino)-2-oxoethanimidoyl cyanide, (E)-2-(azepan-1-yl)-N'-(3,4-dichlorophenyl)-2-oxoacetohydrazonoyl cyanide
| Molecular Formula | C15H16Cl2N4O |
|---|---|
| Molecular Weight | 338.07 g/mol |
| LogP | 3.68748 |
| Topological Polar Surface Area | 68.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.07013 |
| Heavy Atoms | 22 |
| Complexity | 616.45874 |
Chemical Identifiers
| CAS Number | 382633-85-4 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)/C(=N/NC2=CC(=C(C=C2)Cl)Cl)/C#N |
Product Overview
(E)-2-(azepan-1-yl)-N'-(3,4-dichlorophenyl)-2-oxoacetohydrazonoyl cyanide (CAS 382633-85-4), with molecular formula C15H16Cl2N4O and molecular weight 338.07 g/mol. IUPAC: (1E)-2-(azepan-1-yl)-N-(3,4-dichloroanilino)-2-oxoethanimidoyl cyanide.
Chemical Property Profile of (E)-2-(azepan-1-yl)-N'-(3,4-dichlorophenyl)-2-oxoacetohydrazonoyl cyanide
Property Insights of (E)-2-(azepan-1-yl)-N'-(3,4-dichlorophenyl)-2-oxoacetohydrazonoyl cyanide
The XLogP value of 3.68748 indicates that (E)-2-(azepan-1-yl)-N'-(3,4-dichlorophenyl)-2-oxoacetohydrazonoyl cyanide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.49 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(azepan-1-yl)-N'-(3,4-dichlorophenyl)-2-oxoacetohydrazonoyl cyanide. Following Lipinski's Rule of Five, (E)-2-(azepan-1-yl)-N'-(3,4-dichlorophenyl)-2-oxoacetohydrazonoyl cyanide has 1 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 (E)-2-(azepan-1-yl)-N'-(3,4-dichlorophenyl)-2-oxoacetohydrazonoyl cyanide?
The CAS number of (E)-2-(azepan-1-yl)-N'-(3,4-dichlorophenyl)-2-oxoacetohydrazonoyl cyanide is 382633-85-4.
What is the molecular formula of (E)-2-(azepan-1-yl)-N'-(3,4-dichlorophenyl)-2-oxoacetohydrazonoyl cyanide?
The molecular formula of (E)-2-(azepan-1-yl)-N'-(3,4-dichlorophenyl)-2-oxoacetohydrazonoyl cyanide is C15H16Cl2N4O.
What is the molecular weight of (E)-2-(azepan-1-yl)-N'-(3,4-dichlorophenyl)-2-oxoacetohydrazonoyl cyanide?
The molecular weight of (E)-2-(azepan-1-yl)-N'-(3,4-dichlorophenyl)-2-oxoacetohydrazonoyl cyanide is 338.07 g/mol.
Where can I buy (E)-2-(azepan-1-yl)-N'-(3,4-dichlorophenyl)-2-oxoacetohydrazonoyl cyanide?
You can request a quote for (E)-2-(azepan-1-yl)-N'-(3,4-dichlorophenyl)-2-oxoacetohydrazonoyl cyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(azepan-1-yl)-N'-(3,4-dichlorophenyl)-2-oxoacetohydrazonoyl cyanide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(azepan-1-yl)-N'-(3,4-dichlorophenyl)-2-oxoacetohydrazonoyl cyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.