AB00684363-01
TL;DR: AB00684363-01 (CAS 391892-94-7) is a chemical compound with molecular formula C21H25N5O4 and molecular weight 411.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-methyl-3-nitrobenzamide
Also Known As: AB00684363-01, F0495-0182, N-({N'-[(1E)-[4-(diethylamino)phenyl]methylidene]hydrazinecarbonyl}methyl)-2-methyl-3-nitrobenzamide, (E)-N-(2-(2-(4-(diethylamino)benzylidene)hydrazinyl)-2-oxoethyl)-2-methyl-3-nitrobenzamide, N-{2-[(E)-2-{[p-(diethylamino)phenyl]methylene}hydrazino]-2-oxoethyl}-6-nitro-2-toluamide
| Molecular Formula | C21H25N5O4 |
|---|---|
| Molecular Weight | 411.19 g/mol |
| LogP | 2.62952 |
| Topological Polar Surface Area | 116.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 411.19064 |
| Heavy Atoms | 30 |
| Complexity | 936.91296 |
Chemical Identifiers
| CAS Number | 391892-94-7 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)/C=N/NC(=O)CNC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C |
Product Overview
AB00684363-01 (CAS 391892-94-7), with molecular formula C21H25N5O4 and molecular weight 411.19 g/mol. IUPAC: N-[2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-methyl-3-nitrobenzamide.
Chemical Property Profile of AB00684363-01
Property Insights of AB00684363-01
The XLogP value of 2.62952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684363-01. The TPSA of 116.94 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684363-01. Following Lipinski's Rule of Five, AB00684363-01 has 2 hydrogen bond donor(s) and 6 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 AB00684363-01?
The CAS number of AB00684363-01 is 391892-94-7.
What is the molecular formula of AB00684363-01?
The molecular formula of AB00684363-01 is C21H25N5O4.
What is the molecular weight of AB00684363-01?
The molecular weight of AB00684363-01 is 411.19 g/mol.
Where can I buy AB00684363-01?
You can request a quote for AB00684363-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684363-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684363-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.