1L-906
TL;DR: 1L-906 (CAS 477867-35-9) is a chemical compound with molecular formula C19H21Cl2N5O3S and molecular weight 469.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-[5-chloro-1-(3-chlorophenyl)-6-oxopyridazin-4-yl]piperazine-1-carbothioyl]amino]acetate
Also Known As: 1L-906, Ethyl 2-(((4-(5-chloro-1-(3-chlorophenyl)-6-oxo-1,6-dihydro-4-pyridazinyl)piperazino)carbothioyl)amino)acetate, ethyl 2-[[4-[5-chloro-1-(3-chlorophenyl)-6-oxopyridazin-4-yl]piperazine-1-carbothioyl]amino]acetate, ethyl 2-({4-[5-chloro-1-(3-chlorophenyl)-6-oxo-1,6-dihydropyridazin-4-yl]piperazine-1-carbothioyl}amino)acetate, ethyl 2-[({4-[5-chloro-1-(3-chlorophenyl)-6-oxo-1,6-dihydro-4-pyridazinyl]piperazino}carbothioyl)amino]acetate
| Molecular Formula | C19H21Cl2N5O3S |
|---|---|
| Molecular Weight | 469.07 g/mol |
| LogP | 2.0989 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 469.07422 |
| Heavy Atoms | 30 |
| Complexity | 992.3754 |
Chemical Identifiers
| CAS Number | 477867-35-9 |
|---|---|
| SMILES | CCOC(=O)CNC(=S)N1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC(=CC=C3)Cl)Cl |
Product Overview
1L-906 (CAS 477867-35-9), with molecular formula C19H21Cl2N5O3S and molecular weight 469.07 g/mol. IUPAC: ethyl 2-[[4-[5-chloro-1-(3-chlorophenyl)-6-oxopyridazin-4-yl]piperazine-1-carbothioyl]amino]acetate.
Chemical Property Profile of 1L-906
Property Insights of 1L-906
The XLogP value of 2.0989 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1L-906. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1L-906. Following Lipinski's Rule of Five, 1L-906 has 1 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 1L-906?
The CAS number of 1L-906 is 477867-35-9.
What is the molecular formula of 1L-906?
The molecular formula of 1L-906 is C19H21Cl2N5O3S.
What is the molecular weight of 1L-906?
The molecular weight of 1L-906 is 469.07 g/mol.
Where can I buy 1L-906?
You can request a quote for 1L-906 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1L-906?
Yes, KEHONG BIO provides custom synthesis services for 1L-906 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.