BW 1110U88
TL;DR: BW 1110U88 (CAS 127142-55-6) is a chemical compound with molecular formula C16H17ClN6OS2 and molecular weight 408.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-chloro-2-methoxyphenyl)-3-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]thiourea
Also Known As: BW 1110U88, Carbonothioic dihydrazide, N''-(((5-chloro-2-methoxyphenyl)amino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)-, 1-(5-chloro-2-methoxy-phenyl)-3-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]thiourea, 3-{[(5-chloro-2-methoxyphenyl)carbamothioyl]amino}-1-{[1-(pyridin-2-yl)ethylidene]amino}thiourea, Carbonothioic dihydrazide, N''-[[(5-chloro-2-methoxyphenyl)amino]thioxomethyl]-N'''-[(1E)-1-(2-pyridinyl)ethylidene]-
| Molecular Formula | C16H17ClN6OS2 |
|---|---|
| Molecular Weight | 408.06 g/mol |
| LogP | 2.8333 |
| Topological Polar Surface Area | 82.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.0594 |
| Heavy Atoms | 26 |
| Complexity | 815.6422 |
Chemical Identifiers
| CAS Number | 127142-55-6 |
|---|---|
| SMILES | C/C(=N\NC(=S)NNC(=S)NC1=C(C=CC(=C1)Cl)OC)/C2=CC=CC=N2 |
Product Overview
BW 1110U88 (CAS 127142-55-6), with molecular formula C16H17ClN6OS2 and molecular weight 408.06 g/mol. IUPAC: 1-(5-chloro-2-methoxyphenyl)-3-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]thiourea.
Chemical Property Profile of BW 1110U88
Property Insights of BW 1110U88
The XLogP value of 2.8333 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BW 1110U88. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for BW 1110U88. Following Lipinski's Rule of Five, BW 1110U88 has 4 hydrogen bond donor(s) and 5 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 BW 1110U88?
The CAS number of BW 1110U88 is 127142-55-6.
What is the molecular formula of BW 1110U88?
The molecular formula of BW 1110U88 is C16H17ClN6OS2.
What is the molecular weight of BW 1110U88?
The molecular weight of BW 1110U88 is 408.06 g/mol.
Where can I buy BW 1110U88?
You can request a quote for BW 1110U88 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BW 1110U88?
Yes, KEHONG BIO provides custom synthesis services for BW 1110U88 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.