3L-916
TL;DR: 3L-916 (CAS 338413-90-4) is a chemical compound with molecular formula C15H21ClN6O3S and molecular weight 400.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[[1-(6-chloropyridazin-3-yl)piperidine-4-carbonyl]amino]carbamothioylamino]acetate
Also Known As: 3L-916, Ethyl 2-(((2-((1-(6-chloro-3-pyridazinyl)-4-piperidinyl)carbonyl)hydrazino)carbothioyl)amino)acetate, ethyl 2-[[[1-(6-chloropyridazin-3-yl)piperidine-4-carbonyl]amino]carbamothioylamino]acetate, ethyl 2-[({[1-(6-chloropyridazin-3-yl)piperidin-4-yl]formohydrazido}methanethioyl)amino]acetate, Ethyl 2-[[[1-(6-chloropyridazin-3-yl)piperidine-4-carbonyl]amino]thiocarbamoylamino]acetate
| Molecular Formula | C15H21ClN6O3S |
|---|---|
| Molecular Weight | 400.11 g/mol |
| LogP | 0.4048 |
| Topological Polar Surface Area | 108.48 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.10843 |
| Heavy Atoms | 26 |
| Complexity | 636.7738 |
Chemical Identifiers
| CAS Number | 338413-90-4 |
|---|---|
| SMILES | CCOC(=O)CNC(=S)NNC(=O)C1CCN(CC1)C2=NN=C(C=C2)Cl |
Product Overview
3L-916 (CAS 338413-90-4), with molecular formula C15H21ClN6O3S and molecular weight 400.11 g/mol. IUPAC: ethyl 2-[[[1-(6-chloropyridazin-3-yl)piperidine-4-carbonyl]amino]carbamothioylamino]acetate.
Chemical Property Profile of 3L-916
Property Insights of 3L-916
The XLogP value of 0.4048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3L-916. The TPSA of 108.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 3L-916. Following Lipinski's Rule of Five, 3L-916 has 3 hydrogen bond donor(s) and 7 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 3L-916?
The CAS number of 3L-916 is 338413-90-4.
What is the molecular formula of 3L-916?
The molecular formula of 3L-916 is C15H21ClN6O3S.
What is the molecular weight of 3L-916?
The molecular weight of 3L-916 is 400.11 g/mol.
Where can I buy 3L-916?
You can request a quote for 3L-916 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3L-916?
Yes, KEHONG BIO provides custom synthesis services for 3L-916 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.