![[4-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]phenyl] 4-methoxybenzoate structure](/static/products/838/838810-76-7.png)
[4-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]phenyl] 4-methoxybenzoate
TL;DR: [4-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]phenyl] 4-methoxybenzoate (CAS 838810-76-7) is a chemical compound with molecular formula C18H14N2O3S and molecular weight 338.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]phenyl] 4-methoxybenzoate
Also Known As: [4-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]phenyl] 4-methoxybenzoate, (E)-4-(3-amino-2-cyano-3-thioxoprop-1-en-1-yl)phenyl 4-methoxybenzoate, 4-[(1E)-3-amino-2-cyano-3-thioxoprop-1-en-1-yl]phenyl 4-methoxybenzoate
| Molecular Formula | C18H14N2O3S |
|---|---|
| Molecular Weight | 338.07 g/mol |
| LogP | 3.10748 |
| Topological Polar Surface Area | 85.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.0725 |
| Heavy Atoms | 24 |
| Complexity | 818.8375 |
Chemical Identifiers
| CAS Number | 838810-76-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=S)N |
Product Overview
[4-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]phenyl] 4-methoxybenzoate (CAS 838810-76-7), with molecular formula C18H14N2O3S and molecular weight 338.07 g/mol. IUPAC: [4-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]phenyl] 4-methoxybenzoate.
Chemical Property Profile of [4-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]phenyl] 4-methoxybenzoate
Property Insights of [4-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]phenyl] 4-methoxybenzoate
The XLogP value of 3.10748 indicates that [4-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]phenyl] 4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.34 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]phenyl] 4-methoxybenzoate. Following Lipinski's Rule of Five, [4-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]phenyl] 4-methoxybenzoate has 1 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 [4-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]phenyl] 4-methoxybenzoate?
The CAS number of [4-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]phenyl] 4-methoxybenzoate is 838810-76-7.
What is the molecular formula of [4-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]phenyl] 4-methoxybenzoate?
The molecular formula of [4-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]phenyl] 4-methoxybenzoate is C18H14N2O3S.
What is the molecular weight of [4-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]phenyl] 4-methoxybenzoate?
The molecular weight of [4-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]phenyl] 4-methoxybenzoate is 338.07 g/mol.
Where can I buy [4-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]phenyl] 4-methoxybenzoate?
You can request a quote for [4-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]phenyl] 4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]phenyl] 4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]phenyl] 4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.