![3-phenylpropyl 3-[(4-phenyldiazenylphenyl)thiocarbamoylcarbamoyl]propanoate structure](/static/products/875/875178-42-0.png)
3-phenylpropyl 3-[(4-phenyldiazenylphenyl)thiocarbamoylcarbamoyl]propanoate
TL;DR: 3-phenylpropyl 3-[(4-phenyldiazenylphenyl)thiocarbamoylcarbamoyl]propanoate (CAS 875178-42-0) is a chemical compound with molecular formula C26H26N4O3S and molecular weight 474.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylpropyl 4-oxo-4-[(4-phenyldiazenylphenyl)carbamothioylamino]butanoate
Also Known As: 3-phenylpropyl 3-[(4-phenyldiazenylphenyl)thiocarbamoylcarbamoyl]propanoate, 3-phenylpropyl 4-oxo-4-[(4-phenyldiazenylphenyl)carbamothioylamino]butanoate, Butanoic acid, 4-oxo-4-[[[[4-(2-phenyldiazenyl)phenyl]amino]thioxomethyl]amino]-, 3-phenylpropyl ester
| Molecular Formula | C26H26N4O3S |
|---|---|
| Molecular Weight | 474.17 g/mol |
| LogP | 5.8712 |
| Topological Polar Surface Area | 92.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 474.17258 |
| Heavy Atoms | 34 |
| Complexity | 1103.9092 |
Chemical Identifiers
| CAS Number | 875178-42-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NC2=CC=C(C=C2)N=NC3=CC=CC=C3 |
Product Overview
3-phenylpropyl 3-[(4-phenyldiazenylphenyl)thiocarbamoylcarbamoyl]propanoate (CAS 875178-42-0), with molecular formula C26H26N4O3S and molecular weight 474.17 g/mol. IUPAC: 3-phenylpropyl 4-oxo-4-[(4-phenyldiazenylphenyl)carbamothioylamino]butanoate.
Chemical Property Profile of 3-phenylpropyl 3-[(4-phenyldiazenylphenyl)thiocarbamoylcarbamoyl]propanoate
Property Insights of 3-phenylpropyl 3-[(4-phenyldiazenylphenyl)thiocarbamoylcarbamoyl]propanoate
The XLogP value of 5.8712 indicates that 3-phenylpropyl 3-[(4-phenyldiazenylphenyl)thiocarbamoylcarbamoyl]propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-phenylpropyl 3-[(4-phenyldiazenylphenyl)thiocarbamoylcarbamoyl]propanoate. Following Lipinski's Rule of Five, 3-phenylpropyl 3-[(4-phenyldiazenylphenyl)thiocarbamoylcarbamoyl]propanoate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-phenylpropyl 3-[(4-phenyldiazenylphenyl)thiocarbamoylcarbamoyl]propanoate?
The CAS number of 3-phenylpropyl 3-[(4-phenyldiazenylphenyl)thiocarbamoylcarbamoyl]propanoate is 875178-42-0.
What is the molecular formula of 3-phenylpropyl 3-[(4-phenyldiazenylphenyl)thiocarbamoylcarbamoyl]propanoate?
The molecular formula of 3-phenylpropyl 3-[(4-phenyldiazenylphenyl)thiocarbamoylcarbamoyl]propanoate is C26H26N4O3S.
What is the molecular weight of 3-phenylpropyl 3-[(4-phenyldiazenylphenyl)thiocarbamoylcarbamoyl]propanoate?
The molecular weight of 3-phenylpropyl 3-[(4-phenyldiazenylphenyl)thiocarbamoylcarbamoyl]propanoate is 474.17 g/mol.
Where can I buy 3-phenylpropyl 3-[(4-phenyldiazenylphenyl)thiocarbamoylcarbamoyl]propanoate?
You can request a quote for 3-phenylpropyl 3-[(4-phenyldiazenylphenyl)thiocarbamoylcarbamoyl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-phenylpropyl 3-[(4-phenyldiazenylphenyl)thiocarbamoylcarbamoyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-phenylpropyl 3-[(4-phenyldiazenylphenyl)thiocarbamoylcarbamoyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.