BW-464U87
TL;DR: BW-464U87 (CAS 127142-09-0) is a chemical compound with molecular formula C16H17N7O3S2 and molecular weight 419.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methoxy-5-nitrophenyl)-3-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]thiourea
Also Known As: BW-464U87, 1-(2-methoxy-5-nitro-phenyl)-3-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]thiourea, 3-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}-1-{[1-(pyridin-2-yl)ethylidene]amino}thiourea, Carbonothioic dihydrazide, N''-(((2-methoxy-5-nitrophenyl)amino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)-, Carbonothioic dihydrazide, N''-[[(2-methoxy-5-nitrophenyl)amino]thioxomethyl]-N'''-[(1E)-1-(2-pyridinyl)ethylidene]-
| Molecular Formula | C16H17N7O3S2 |
|---|---|
| Molecular Weight | 419.08 g/mol |
| LogP | 2.0881 |
| Topological Polar Surface Area | 125.74 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.08344 |
| Heavy Atoms | 28 |
| Complexity | 906.36584 |
Chemical Identifiers
| CAS Number | 127142-09-0 |
|---|---|
| SMILES | C/C(=N\NC(=S)NNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)/C2=CC=CC=N2 |
Product Overview
BW-464U87 (CAS 127142-09-0), with molecular formula C16H17N7O3S2 and molecular weight 419.08 g/mol. IUPAC: 1-(2-methoxy-5-nitrophenyl)-3-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]thiourea.
Chemical Property Profile of BW-464U87
Property Insights of BW-464U87
The XLogP value of 2.0881 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BW-464U87. The TPSA of 125.74 Ų falls within the moderate polarity range, balancing permeability and solubility for BW-464U87. Following Lipinski's Rule of Five, BW-464U87 has 4 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 BW-464U87?
The CAS number of BW-464U87 is 127142-09-0.
What is the molecular formula of BW-464U87?
The molecular formula of BW-464U87 is C16H17N7O3S2.
What is the molecular weight of BW-464U87?
The molecular weight of BW-464U87 is 419.08 g/mol.
Where can I buy BW-464U87?
You can request a quote for BW-464U87 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BW-464U87?
Yes, KEHONG BIO provides custom synthesis services for BW-464U87 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.