11D-039
TL;DR: 11D-039 (CAS 860649-35-0) is a chemical compound with molecular formula C22H17Cl3N4O and molecular weight 458.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1E,4E)-1-(4-chlorophenyl)-5-[2-[6-[(2,4-dichlorophenyl)methyl]pyridazin-3-yl]hydrazinyl]penta-1,4-dien-3-one
Also Known As: 11D-039, (1E,4E)-1-(4-chlorophenyl)-5-(2-{6-[(2,4-dichlorophenyl)methyl]pyridazin-3-yl}hydrazin-1-yl)penta-1,4-dien-3-one, (1E,4E)-1-(4-chlorophenyl)-5-[2-[6-[(2,4-dichlorophenyl)methyl]pyridazin-3-yl]hydrazinyl]penta-1,4-dien-3-one, (1E,4E)-1-(4-chlorophenyl)-5-{2-[6-(2,4-dichlorobenzyl)-3-pyridazinyl]hydrazino}-1,4-pentadien-3-one, (1E,4E)-1-(4-CHLOROPHENYL)-5-(2-[6-(2,4-DICHLOROBENZYL)-3-PYRIDAZINYL]HYDRAZINO)-1,4-PENTADIEN-3-ONE
| Molecular Formula | C22H17Cl3N4O |
|---|---|
| Molecular Weight | 458.05 g/mol |
| LogP | 5.7403 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 458.04678 |
| Heavy Atoms | 30 |
| Complexity | 1064.7457 |
Chemical Identifiers
| CAS Number | 860649-35-0 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/C(=O)/C=C/NNC2=NN=C(C=C2)CC3=C(C=C(C=C3)Cl)Cl)Cl |
Product Overview
11D-039 (CAS 860649-35-0), with molecular formula C22H17Cl3N4O and molecular weight 458.05 g/mol. IUPAC: (1E,4E)-1-(4-chlorophenyl)-5-[2-[6-[(2,4-dichlorophenyl)methyl]pyridazin-3-yl]hydrazinyl]penta-1,4-dien-3-one.
Chemical Property Profile of 11D-039
Property Insights of 11D-039
The XLogP value of 5.7403 indicates that 11D-039 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 11D-039. Following Lipinski's Rule of Five, 11D-039 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11D-039?
The CAS number of 11D-039 is 860649-35-0.
What is the molecular formula of 11D-039?
The molecular formula of 11D-039 is C22H17Cl3N4O.
What is the molecular weight of 11D-039?
The molecular weight of 11D-039 is 458.05 g/mol.
Where can I buy 11D-039?
You can request a quote for 11D-039 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11D-039?
Yes, KEHONG BIO provides custom synthesis services for 11D-039 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.